*HEADER    PROTEIN BINDING                         08-SEP-09   2KNZ              
*TITLE     NMR STRUCTURE OF CIP75 UBA DOMAIN                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UBIQUILIN-4;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UBA DOMAIN, RESIDUES 549-596;                              
*COMPND   5 SYNONYM: ATAXIN-1 UBIQUITIN-LIKE-INTERACTING PROTEIN A1U;            
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: UBQLN4, UBIN;                                                  
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PGEX-6P-2                                 
*KEYWDS    CYTOPLASM, ENDOPLASMIC RETICULUM, NUCLEUS, PHOSPHOPROTEIN,            
*KEYWDS   2 PROTEIN BINDING                                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    F.KIEKEN, G.SPAGNOL, V.SU, A.F.LAU, P.L.SORGEN                        
*REVDAT   1   16-MAR-10 2KNZ    0                                                


 ASSI {    1}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.900     0.900 peak     1 spectrum    1 weight  0.11000E+01 volume  0.34793E-02 ppm1      2.963 ppm2      8.390 CV     1
 ASSI {    1}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak     1 spectrum    1 weight  0.11000E+01 volume  0.20879E-02 ppm1      3.617 ppm2      8.632 CV     1
 ASSI {    2}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      3.100     3.100     2.900 peak     2 spectrum    1 weight  0.11000E+01 volume  0.54512E-02 ppm1      3.616 ppm2      7.017 CV     1
 ASSI {    3}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.500     3.500     2.500 peak     3 spectrum    1 weight  0.11000E+01 volume  0.10076E-02 ppm1      3.613 ppm2      7.703 CV     1
 ASSI {    6}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.100     1.100 peak     6 spectrum    1 weight  0.11000E+01 volume  0.54999E-02 ppm1      3.780 ppm2      8.092 CV     1
 ASSI {    8}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak     8 spectrum    1 weight  0.11000E+01 volume  0.34384E-02 ppm1      3.883 ppm2      7.991 CV     1
 ASSI {    9}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak     9 spectrum    1 weight  0.11000E+01 volume  0.40875E-02 ppm1      3.844 ppm2      7.990 CV     1
 ASSI {   10}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.400     0.700     0.700 peak    10 spectrum    1 weight  0.11000E+01 volume  0.59684E-02 ppm1      4.418 ppm2      8.638 CV     1
 ASSI {   15}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak    15 spectrum    1 weight  0.11000E+01 volume  0.33369E-02 ppm1      4.509 ppm2      7.687 CV     1
 ASSI {   18}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.400     1.400 peak    18 spectrum    1 weight  0.11000E+01 volume  0.96579E-03 ppm1      3.767 ppm2      8.337 CV     1
 ASSI {   20}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak    20 spectrum    1 weight  0.11000E+01 volume  0.31437E-02 ppm1      3.969 ppm2      8.296 CV     1
 ASSI {   21}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     1.000     1.000 peak    21 spectrum    1 weight  0.11000E+01 volume  0.31748E-02 ppm1      3.873 ppm2      7.227 CV     1
 ASSI {   22}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.300     0.700     0.700 peak    22 spectrum    1 weight  0.11000E+01 volume  0.56244E-02 ppm1      4.106 ppm2      7.880 CV     1
 ASSI {   23}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak    23 spectrum    1 weight  0.11000E+01 volume  0.25938E-02 ppm1      4.101 ppm2      8.301 CV     1
 ASSI {   24}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak    24 spectrum    1 weight  0.11000E+01 volume  0.29968E-02 ppm1      4.062 ppm2      9.042 CV     1
 ASSI {   25}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak    25 spectrum    1 weight  0.11000E+01 volume  0.49182E-02 ppm1      4.039 ppm2      8.296 CV     1
 ASSI {   26}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.000     1.000 peak    26 spectrum    1 weight  0.11000E+01 volume  0.27858E-02 ppm1      4.416 ppm2      7.991 CV     1
 ASSI {   27}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak    27 spectrum    1 weight  0.11000E+01 volume  0.37863E-02 ppm1      4.415 ppm2      8.292 CV     1
 ASSI {   29}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak    29 spectrum    1 weight  0.11000E+01 volume  0.31872E-02 ppm1      4.024 ppm2      7.463 CV     1
 ASSI {   30}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.700     0.700 peak    30 spectrum    1 weight  0.11000E+01 volume  0.62349E-02 ppm1      3.865 ppm2      8.121 CV     1
 ASSI {   31}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak    31 spectrum    1 weight  0.11000E+01 volume  0.31348E-02 ppm1      3.849 ppm2      7.887 CV     1
 ASSI {   33}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak    33 spectrum    1 weight  0.11000E+01 volume  0.63377E-02 ppm1      4.372 ppm2      8.499 CV     1
 ASSI {   34}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.100     1.100 peak    34 spectrum    1 weight  0.11000E+01 volume  0.26403E-02 ppm1      4.372 ppm2      8.087 CV     1
 ASSI {   37}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.200     0.600     0.600 peak    37 spectrum    1 weight  0.11000E+01 volume  0.55414E-02 ppm1      4.617 ppm2      7.768 CV     1
 ASSI {   38}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HD% )
      3.200     1.200     1.200 peak    38 spectrum    1 weight  0.11000E+01 volume  0.12436E-02 ppm1      4.615 ppm2      7.236 CV     1
 ASSI {   39}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak    39 spectrum    1 weight  0.11000E+01 volume  0.47090E-02 ppm1      4.356 ppm2      7.910 CV     1
 ASSI {   40}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      4.800     2.900     1.200 peak    40 spectrum    1 weight  0.11000E+01 volume  0.48803E-03 ppm1      3.929 ppm2      7.459 CV     1
 ASSI {   41}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak    41 spectrum    1 weight  0.11000E+01 volume  0.42758E-02 ppm1      3.933 ppm2      8.374 CV     1
 ASSI {   42}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak    42 spectrum    1 weight  0.11000E+01 volume  0.16546E-02 ppm1      3.593 ppm2      8.062 CV     1
 ASSI {   43}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     0.900     0.900 peak    43 spectrum    1 weight  0.11000E+01 volume  0.34384E-02 ppm1      4.317 ppm2      7.931 CV     1
 ASSI {   45}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak    45 spectrum    1 weight  0.11000E+01 volume  0.34823E-02 ppm1      4.346 ppm2      7.648 CV     1
 ASSI {   46}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.300     0.600     0.600 peak    46 spectrum    1 weight  0.11000E+01 volume  0.10836E-01 ppm1      4.320 ppm2      8.291 CV     1
 ASSI {   48}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     3.100     2.900 peak    48 spectrum    1 weight  0.11000E+01 volume  0.43498E-02 ppm1      4.261 ppm2      8.515 CV     1
 ASSI {   49}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.800     0.800 peak    49 spectrum    1 weight  0.11000E+01 volume  0.38948E-02 ppm1      4.261 ppm2      8.449 CV     1
 ASSI {   54}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak    54 spectrum    1 weight  0.11000E+01 volume  0.40134E-02 ppm1      4.373 ppm2      7.954 CV     1
 ASSI {   56}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     0.800     0.800 peak    56 spectrum    1 weight  0.11000E+01 volume  0.51202E-02 ppm1      4.125 ppm2      7.708 CV     1
 ASSI {   59}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.900     1.000     1.000 peak    59 spectrum    1 weight  0.11000E+01 volume  0.24460E-02 ppm1      4.139 ppm2      8.084 CV     1
 ASSI {   62}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.200     3.200     2.800 peak    62 spectrum    1 weight  0.11000E+01 volume  0.63485E-02 ppm1      4.521 ppm2      8.835 CV     1
 ASSI {   65}
   (( segid "    " and resid 37   and name HA1 ))
   (  segid "    " and resid 11   and name HE% )
      4.800     4.800     1.200 peak    65 spectrum    1 weight  0.11000E+01 volume  0.53227E-03 ppm1      3.980 ppm2      7.007 CV     1
 ASSI {   66}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.300     1.400     1.400 peak    66 spectrum    1 weight  0.11000E+01 volume  0.83128E-02 ppm1      3.979 ppm2      7.636 CV     1
 ASSI {   69}
   (( segid "    " and resid 49   and name HA1 ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.000     1.000 peak    69 spectrum    1 weight  0.11000E+01 volume  0.26264E-02 ppm1      3.908 ppm2      7.817 CV     1
 ASSI {   72}
   (( segid "    " and resid 38   and name HA2 ))
   (  segid "    " and resid 11   and name HD% )
      3.100     3.100     2.900 peak    72 spectrum    1 weight  0.11000E+01 volume  0.15104E-02 ppm1      3.974 ppm2      7.021 CV     1
 ASSI {   73}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 4    and name HN  ))
      2.300     0.700     0.700 peak    73 spectrum    1 weight  0.11000E+01 volume  0.80896E-02 ppm1      3.880 ppm2      8.494 CV     1
 ASSI {   75}
   (( segid "    " and resid 22   and name HA2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.600     1.600     1.600 peak    75 spectrum    1 weight  0.11000E+01 volume  0.33492E-02 ppm1      4.074 ppm2      7.676 CV     1
 ASSI {   76}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak    76 spectrum    1 weight  0.11000E+01 volume  0.59725E-02 ppm1      3.879 ppm2      8.091 CV     1
 ASSI {   77}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.000     1.000 peak    77 spectrum    1 weight  0.11000E+01 volume  0.42050E-02 ppm1      3.445 ppm2      7.827 CV     1
 ASSI {   78}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 21   and name HN  ))
      3.400     1.500     1.500 peak    78 spectrum    1 weight  0.11000E+01 volume  0.45507E-02 ppm1      3.445 ppm2      7.672 CV     1
 ASSI {   79}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HH11))
      4.300     2.300     1.700 peak    79 spectrum    1 weight  0.11000E+01 volume  0.54968E-03 ppm1      3.181 ppm2      7.553 CV     1
 ASSI {   81}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HH11))
      3.400     1.500     1.500 peak    81 spectrum    1 weight  0.11000E+01 volume  0.51982E-03 ppm1      2.788 ppm2      7.034 CV     1
 ASSI {   88}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HH11))
      3.100     1.200     1.200 peak    88 spectrum    1 weight  0.11000E+01 volume  0.81008E-03 ppm1      2.913 ppm2      7.421 CV     1
 ASSI {   89}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     3.000     3.000 peak    89 spectrum    1 weight  0.11000E+01 volume  0.10193E-02 ppm1      1.803 ppm2      8.390 CV     1
 ASSI {   92}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.100     1.100 peak    92 spectrum    1 weight  0.11000E+01 volume  0.47753E-02 ppm1      1.614 ppm2      8.290 CV     1
 ASSI {   93}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.700     2.700     3.300 peak    93 spectrum    1 weight  0.11000E+01 volume  0.35490E-02 ppm1      1.594 ppm2      8.290 CV     1
 ASSI {   94}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HN  ))
      3.600     1.600     1.600 peak    94 spectrum    1 weight  0.11000E+01 volume  0.11673E-02 ppm1      1.536 ppm2      8.640 CV     1
 ASSI {   95}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     2.400     3.600 peak    95 spectrum    1 weight  0.11000E+01 volume  0.31659E-02 ppm1      1.507 ppm2      8.384 CV     1
 ASSI {  100}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.100     1.200     1.200 peak   100 spectrum    1 weight  0.11000E+01 volume  0.30276E-02 ppm1      1.868 ppm2      8.420 CV     1
 ASSI {  101}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     2.600     3.400 peak   101 spectrum    1 weight  0.11000E+01 volume  0.25966E-02 ppm1      1.600 ppm2      8.423 CV     1
 ASSI {  104}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.300     0.600     0.600 peak   104 spectrum    1 weight  0.11000E+01 volume  0.45273E-02 ppm1      2.888 ppm2      7.918 CV     1
 ASSI {  106}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   106 spectrum    1 weight  0.11000E+01 volume  0.48749E-02 ppm1      2.733 ppm2      7.919 CV     1
 ASSI {  109}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     2.600     3.400 peak   109 spectrum    1 weight  0.11000E+01 volume  0.14278E-02 ppm1      1.674 ppm2      8.842 CV     1
 ASSI {  113}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.800     0.800 peak   113 spectrum    1 weight  0.11000E+01 volume  0.52681E-02 ppm1      1.726 ppm2      8.249 CV     1
 ASSI {  116}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HD21))
      2.400     0.700     0.700 peak   116 spectrum    1 weight  0.11000E+01 volume  0.42662E-02 ppm1      2.822 ppm2      7.929 CV     1
 ASSI {  117}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HD21))
      3.000     1.200     1.200 peak   117 spectrum    1 weight  0.11000E+01 volume  0.47379E-02 ppm1      2.666 ppm2      7.929 CV     1
 ASSI {  118}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 8    and name HN  ))
      3.900     1.900     1.900 peak   118 spectrum    1 weight  0.11000E+01 volume  0.92367E-03 ppm1      2.183 ppm2      9.221 CV     1
 ASSI {  119}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.800     0.800 peak   119 spectrum    1 weight  0.11000E+01 volume  0.34396E-02 ppm1      2.278 ppm2      8.293 CV     1
 ASSI {  120}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.800     3.800     2.200 peak   120 spectrum    1 weight  0.11000E+01 volume  0.15878E-02 ppm1      2.446 ppm2      7.860 CV     1
 ASSI {  121}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.000     1.100     1.100 peak   121 spectrum    1 weight  0.11000E+01 volume  0.18923E-02 ppm1      2.360 ppm2      7.228 CV     1
 ASSI {  122}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     0.900     0.900 peak   122 spectrum    1 weight  0.11000E+01 volume  0.10177E-02 ppm1      2.316 ppm2      7.854 CV     1
 ASSI {  123}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      5.000     3.100     1.000 peak   123 spectrum    1 weight  0.11000E+01 volume  0.20401E-03 ppm1      2.361 ppm2      7.463 CV     1
 ASSI {  125}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.300     1.300 peak   125 spectrum    1 weight  0.11000E+01 volume  0.66444E-03 ppm1      2.452 ppm2      9.040 CV     1
 ASSI {  126}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HN  ))
      4.800     2.900     1.200 peak   126 spectrum    1 weight  0.11000E+01 volume  0.57240E-03 ppm1      2.347 ppm2      9.044 CV     1
 ASSI {  127}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   127 spectrum    1 weight  0.11000E+01 volume  0.41562E-02 ppm1      2.471 ppm2      7.893 CV     1
 ASSI {  129}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     2.300     3.700 peak   129 spectrum    1 weight  0.11000E+01 volume  0.45823E-02 ppm1      2.435 ppm2      7.889 CV     1
 ASSI {  130}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.500     1.500 peak   130 spectrum    1 weight  0.11000E+01 volume  0.36587E-02 ppm1      2.335 ppm2      8.293 CV     1
 ASSI {  131}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak   131 spectrum    1 weight  0.11000E+01 volume  0.17585E-02 ppm1      2.065 ppm2      8.116 CV     1
 ASSI {  132}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      3.000     1.100     1.100 peak   132 spectrum    1 weight  0.11000E+01 volume  0.11267E-02 ppm1      2.064 ppm2      7.539 CV     1
 ASSI {  133}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak   133 spectrum    1 weight  0.11000E+01 volume  0.14958E-02 ppm1      1.328 ppm2      8.140 CV     1
 ASSI {  134}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak   134 spectrum    1 weight  0.11000E+01 volume  0.15119E-02 ppm1      1.054 ppm2      8.142 CV     1
 ASSI {  135}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak   135 spectrum    1 weight  0.11000E+01 volume  0.39634E-02 ppm1      1.845 ppm2      8.354 CV     1
 ASSI {  136}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.300     0.600     0.600 peak   136 spectrum    1 weight  0.11000E+01 volume  0.50882E-02 ppm1      1.842 ppm2      7.461 CV     1
 ASSI {  137}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak   137 spectrum    1 weight  0.11000E+01 volume  0.79759E-02 ppm1      2.152 ppm2      7.852 CV     1
 ASSI {  138}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.300     0.700     0.700 peak   138 spectrum    1 weight  0.11000E+01 volume  0.73758E-02 ppm1      2.118 ppm2      8.293 CV     1
 ASSI {  140}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     2.800     3.200 peak   140 spectrum    1 weight  0.11000E+01 volume  0.27652E-02 ppm1      2.011 ppm2      7.466 CV     1
 ASSI {  143}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.400     1.400 peak   143 spectrum    1 weight  0.11000E+01 volume  0.24830E-02 ppm1      1.918 ppm2      9.218 CV     1
 ASSI {  144}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.300     1.300     1.300 peak   144 spectrum    1 weight  0.11000E+01 volume  0.98896E-03 ppm1      2.090 ppm2      7.385 CV     1
 ASSI {  145}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   145 spectrum    1 weight  0.11000E+01 volume  0.24328E-02 ppm1      2.217 ppm2      8.294 CV     1
 ASSI {  146}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   146 spectrum    1 weight  0.11000E+01 volume  0.28444E-02 ppm1      2.069 ppm2      8.051 CV     1
 ASSI {  149}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   149 spectrum    1 weight  0.11000E+01 volume  0.37809E-02 ppm1      2.047 ppm2      9.295 CV     1
 ASSI {  150}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   150 spectrum    1 weight  0.11000E+01 volume  0.95339E-02 ppm1      2.047 ppm2      9.042 CV     1
 ASSI {  151}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.200     0.600     0.600 peak   151 spectrum    1 weight  0.11000E+01 volume  0.79128E-02 ppm1      2.046 ppm2      7.891 CV     1
 ASSI {  157}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name HN  ))
      3.500     1.500     1.500 peak   157 spectrum    1 weight  0.11000E+01 volume  0.19017E-02 ppm1      0.498 ppm2      8.752 CV     1
 ASSI {  159}
   (( segid "    " and resid 24   and name HG11))
   (( segid "    " and resid 24   and name HN  ))
      4.500     2.500     1.500 peak   159 spectrum    1 weight  0.11000E+01 volume  0.11770E-02 ppm1      1.095 ppm2      7.757 CV     1
 ASSI {  160}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak   160 spectrum    1 weight  0.11000E+01 volume  0.17600E-02 ppm1      0.875 ppm2      8.391 CV     1
 ASSI {  161}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 23   and name HZ  ))
      3.200     1.200     1.200 peak   161 spectrum    1 weight  0.11000E+01 volume  0.19402E-02 ppm1      0.877 ppm2      7.138 CV     1
 ASSI {  162}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      5.000     3.200     1.000 peak   162 spectrum    1 weight  0.11000E+01 volume  0.32204E-03 ppm1      0.894 ppm2      8.743 CV     1
 ASSI {  164}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 29   and name HN  ))
      5.500     3.800     0.500 peak   164 spectrum    1 weight  0.11000E+01 volume  0.28664E-03 ppm1      0.788 ppm2      8.616 CV     1
 ASSI {  165}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
      3.200     1.300     1.300 peak   165 spectrum    1 weight  0.11000E+01 volume  0.10987E-02 ppm1      0.796 ppm2      8.421 CV     1
 ASSI {  166}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
      5.100     3.200     0.900 peak   166 spectrum    1 weight  0.11000E+01 volume  0.36541E-03 ppm1      0.937 ppm2      8.423 CV     1
 ASSI {  167}
   (  segid "    " and resid 30   and name HD1%)
   (  segid "    " and resid 11   and name HD% )
      3.400     3.400     2.600 peak   167 spectrum    1 weight  0.11000E+01 volume  0.23756E-02 ppm1      0.935 ppm2      7.017 CV     1
 ASSI {  168}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   168 spectrum    1 weight  0.11000E+01 volume  0.11207E-02 ppm1      0.496 ppm2      8.753 CV     1
 ASSI {  169}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 23   and name HD% )
      3.500     3.500     2.500 peak   169 spectrum    1 weight  0.11000E+01 volume  0.21691E-02 ppm1      0.496 ppm2      7.219 CV     1
 ASSI {  171}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 48   and name HN  ))
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.11000E+01 volume  0.20681E-02 ppm1      0.983 ppm2      8.381 CV     1
 ASSI {  172}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 23   and name HZ  ))
      2.500     0.800     0.800 peak   172 spectrum    1 weight  0.11000E+01 volume  0.70858E-02 ppm1      0.984 ppm2      7.119 CV     1
 ASSI {  173}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.400     1.400 peak   173 spectrum    1 weight  0.11000E+01 volume  0.29094E-02 ppm1      0.724 ppm2      8.369 CV     1
 ASSI {  178}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   178 spectrum    1 weight  0.11000E+01 volume  0.88877E-03 ppm1      0.945 ppm2      8.332 CV     1
 ASSI {  179}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      2.600     2.600     3.400 peak   179 spectrum    1 weight  0.11000E+01 volume  0.32252E-02 ppm1      0.945 ppm2      7.691 CV     1
 ASSI {  180}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 46   and name HH12))
      3.000     3.000     3.000 peak   180 spectrum    1 weight  0.11000E+01 volume  0.48664E-02 ppm1      0.945 ppm2      7.578 CV     1
 ASSI {  181}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 35   and name HN  ))
      2.200     0.600     0.600 peak   181 spectrum    1 weight  0.11000E+01 volume  0.96912E-02 ppm1      1.433 ppm2      7.710 CV     1
 ASSI {  182}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 39   and name HN  ))
      4.300     2.300     1.700 peak   182 spectrum    1 weight  0.11000E+01 volume  0.97115E-03 ppm1      1.358 ppm2      6.861 CV     1
 ASSI {  183}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      2.700     2.700     3.300 peak   183 spectrum    1 weight  0.11000E+01 volume  0.37051E-02 ppm1      1.357 ppm2      8.335 CV     1
 ASSI {  185}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak   185 spectrum    1 weight  0.11000E+01 volume  0.40646E-02 ppm1      0.788 ppm2      7.764 CV     1
 ASSI {  186}
   (  segid "    " and resid 32   and name HB% )
   (( segid "    " and resid 32   and name HN  ))
      2.100     0.500     0.500 peak   186 spectrum    1 weight  0.11000E+01 volume  0.12109E-01 ppm1      1.330 ppm2      8.057 CV     1
 ASSI {  188}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 44   and name HN  ))
      6.000     5.300     0.000 peak   188 spectrum    1 weight  0.11000E+01 volume  0.21097E-03 ppm1      2.116 ppm2      8.282 CV     1
 ASSI {  191}
   (  segid "    " and resid 28   and name HB% )
   (( segid "    " and resid 29   and name HN  ))
      2.700     2.700     3.300 peak   191 spectrum    1 weight  0.11000E+01 volume  0.34307E-02 ppm1      1.286 ppm2      8.612 CV     1
 ASSI {  193}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.600     1.600 peak   193 spectrum    1 weight  0.11000E+01 volume  0.81919E-03 ppm1      1.103 ppm2      8.061 CV     1
 ASSI {  194}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 44   and name HN  ))
      2.200     2.200     3.800 peak   194 spectrum    1 weight  0.11000E+01 volume  0.77532E-02 ppm1      1.098 ppm2      8.302 CV     1
 ASSI {  198}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      2.900     2.900     3.100 peak   198 spectrum    1 weight  0.11000E+01 volume  0.72251E-02 ppm1      0.812 ppm2      7.196 CV     1
 ASSI {  199}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak   199 spectrum    1 weight  0.11000E+01 volume  0.18181E-02 ppm1      0.892 ppm2      8.632 CV     1
 ASSI {  200}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.400     1.400 peak   200 spectrum    1 weight  0.11000E+01 volume  0.22957E-02 ppm1      0.892 ppm2      7.709 CV     1
 ASSI {  201}
   (  segid "    " and resid 34   and name HG2%)
   (  segid "    " and resid 11   and name HD% )
      4.500     4.500     1.500 peak   201 spectrum    1 weight  0.11000E+01 volume  0.74524E-03 ppm1      0.892 ppm2      7.012 CV     1
 ASSI {  203}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      4.000     4.000     2.000 peak   203 spectrum    1 weight  0.11000E+01 volume  0.28575E-02 ppm1      0.830 ppm2      8.820 CV     1
 ASSI {  204}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
      2.500     0.800     0.800 peak   204 spectrum    1 weight  0.11000E+01 volume  0.44217E-02 ppm1      0.832 ppm2      7.931 CV     1
 ASSI {  205}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 44   and name HN  ))
      3.300     1.400     1.400 peak   205 spectrum    1 weight  0.11000E+01 volume  0.39302E-02 ppm1      0.755 ppm2      8.251 CV     1
 ASSI {  206}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      3.300     3.300     2.700 peak   206 spectrum    1 weight  0.11000E+01 volume  0.34802E-02 ppm1      0.753 ppm2      7.224 CV     1
 ASSI {  207}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak   207 spectrum    1 weight  0.11000E+01 volume  0.23883E-02 ppm1      0.834 ppm2      8.631 CV     1
 ASSI {  208}
   (  segid "    " and resid 34   and name HD1%)
   (  segid "    " and resid 11   and name HD% )
      2.400     2.400     3.600 peak   208 spectrum    1 weight  0.11000E+01 volume  0.23714E-02 ppm1      0.830 ppm2      7.016 CV     1
 ASSI {  209}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.900     0.900 peak   209 spectrum    1 weight  0.11000E+01 volume  0.32968E-02 ppm1      0.817 ppm2      7.747 CV     1
 ASSI {  210}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      3.500     1.500     1.500 peak   210 spectrum    1 weight  0.11000E+01 volume  0.10532E-02 ppm1      0.796 ppm2      8.758 CV     1
 ASSI {  216}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      3.300     1.300     1.300 peak   216 spectrum    1 weight  0.11000E+01 volume  0.16064E-02 ppm1      1.635 ppm2      4.284 CV     1
 ASSI {  217}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak   217 spectrum    1 weight  0.11000E+01 volume  0.22597E-02 ppm1      1.604 ppm2      4.363 CV     1
 ASSI {  218}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      2.600     0.800     0.800 peak   218 spectrum    1 weight  0.11000E+01 volume  0.46026E-02 ppm1      1.522 ppm2      4.264 CV     1
 ASSI {  219}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      2.200     0.600     0.600 peak   219 spectrum    1 weight  0.11000E+01 volume  0.46292E-02 ppm1      1.482 ppm2      3.856 CV     1
 ASSI {  223}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 40   and name HA  ))
      2.500     0.800     0.800 peak   223 spectrum    1 weight  0.11000E+01 volume  0.34970E-02 ppm1      1.671 ppm2      3.531 CV     1
 ASSI {  224}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      2.000     0.500     0.500 peak   224 spectrum    1 weight  0.11000E+01 volume  0.60627E-02 ppm1      2.592 ppm2      3.334 CV     1
 ASSI {  226}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak   226 spectrum    1 weight  0.11000E+01 volume  0.40605E-02 ppm1      2.278 ppm2      3.969 CV     1
 ASSI {  228}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.100     1.100 peak   228 spectrum    1 weight  0.11000E+01 volume  0.16914E-02 ppm1      2.442 ppm2      4.094 CV     1
 ASSI {  230}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   230 spectrum    1 weight  0.11000E+01 volume  0.10772E-02 ppm1      2.474 ppm2      3.879 CV     1
 ASSI {  234}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HA  ))
      2.200     0.600     0.600 peak   234 spectrum    1 weight  0.11000E+01 volume  0.71945E-02 ppm1      2.412 ppm2      3.877 CV     1
 ASSI {  235}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      3.300     1.300     1.300 peak   235 spectrum    1 weight  0.11000E+01 volume  0.25287E-02 ppm1      2.260 ppm2      4.416 CV     1
 ASSI {  237}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HA  ))
      3.000     1.100     1.100 peak   237 spectrum    1 weight  0.11000E+01 volume  0.22530E-02 ppm1      2.062 ppm2      3.876 CV     1
 ASSI {  239}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HD2 ))
      3.400     1.500     1.500 peak   239 spectrum    1 weight  0.11000E+01 volume  0.87917E-03 ppm1      2.238 ppm2      3.828 CV     1
 ASSI {  240}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.300     1.300 peak   240 spectrum    1 weight  0.11000E+01 volume  0.23917E-02 ppm1      2.237 ppm2      3.910 CV     1
 ASSI {  241}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HD1 ))
      4.200     2.200     1.800 peak   241 spectrum    1 weight  0.11000E+01 volume  0.11577E-02 ppm1      1.875 ppm2      3.805 CV     1
 ASSI {  243}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak   243 spectrum    1 weight  0.11000E+01 volume  0.32628E-02 ppm1      1.328 ppm2      3.875 CV     1
 ASSI {  245}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak   245 spectrum    1 weight  0.11000E+01 volume  0.27709E-02 ppm1      1.047 ppm2      3.875 CV     1
 ASSI {  247}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak   247 spectrum    1 weight  0.11000E+01 volume  0.48952E-02 ppm1      1.838 ppm2      4.016 CV     1
 ASSI {  250}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.200     0.600     0.600 peak   250 spectrum    1 weight  0.11000E+01 volume  0.69907E-02 ppm1      2.158 ppm2      4.092 CV     1
 ASSI {  252}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   252 spectrum    1 weight  0.11000E+01 volume  0.56753E-02 ppm1      2.002 ppm2      3.879 CV     1
 ASSI {  254}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak   254 spectrum    1 weight  0.11000E+01 volume  0.29781E-02 ppm1      1.974 ppm2      4.320 CV     1
 ASSI {  255}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   255 spectrum    1 weight  0.11000E+01 volume  0.76648E-02 ppm1      1.911 ppm2      3.879 CV     1
 ASSI {  257}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      2.100     0.500     0.500 peak   257 spectrum    1 weight  0.11000E+01 volume  0.10925E-01 ppm1      2.084 ppm2      3.919 CV     1
 ASSI {  258}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   258 spectrum    1 weight  0.11000E+01 volume  0.36877E-02 ppm1      2.214 ppm2      4.006 CV     1
 ASSI {  263}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HD2 ))
      2.400     0.700     0.700 peak   263 spectrum    1 weight  0.11000E+01 volume  0.42527E-02 ppm1      2.101 ppm2      3.797 CV     1
 ASSI {  265}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HD1 ))
      2.300     0.700     0.700 peak   265 spectrum    1 weight  0.11000E+01 volume  0.59919E-02 ppm1      1.950 ppm2      3.515 CV     1
 ASSI {  266}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.200     2.200     3.800 peak   266 spectrum    1 weight  0.11000E+01 volume  0.29312E-02 ppm1      1.645 ppm2      3.860 CV     1
 ASSI {  267}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HA  ))
      3.400     1.500     1.500 peak   267 spectrum    1 weight  0.11000E+01 volume  0.29433E-02 ppm1      0.514 ppm2      3.868 CV     1
 ASSI {  269}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.500     1.500     1.500 peak   269 spectrum    1 weight  0.11000E+01 volume  0.84480E-03 ppm1      1.161 ppm2      3.871 CV     1
 ASSI {  270}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      2.700     2.700     3.300 peak   270 spectrum    1 weight  0.11000E+01 volume  0.94247E-02 ppm1      0.897 ppm2      3.872 CV     1
 ASSI {  272}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
      2.000     0.500     0.500 peak   272 spectrum    1 weight  0.11000E+01 volume  0.78817E-02 ppm1      0.784 ppm2      3.853 CV     1
 ASSI {  273}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      2.700     2.700     3.300 peak   273 spectrum    1 weight  0.11000E+01 volume  0.64378E-02 ppm1      0.935 ppm2      3.874 CV     1
 ASSI {  275}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      3.100     1.200     1.200 peak   275 spectrum    1 weight  0.11000E+01 volume  0.37087E-02 ppm1      0.819 ppm2      4.369 CV     1
 ASSI {  276}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.400     1.400 peak   276 spectrum    1 weight  0.11000E+01 volume  0.29094E-02 ppm1      0.497 ppm2      4.135 CV     1
 ASSI {  277}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak   277 spectrum    1 weight  0.11000E+01 volume  0.11845E-02 ppm1      0.197 ppm2      3.862 CV     1
 ASSI {  278}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      3.000     3.000     3.000 peak   278 spectrum    1 weight  0.11000E+01 volume  0.43411E-02 ppm1      0.199 ppm2      3.590 CV     1
 ASSI {  279}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.900     0.900 peak   279 spectrum    1 weight  0.11000E+01 volume  0.45633E-02 ppm1      0.983 ppm2      4.259 CV     1
 ASSI {  280}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 47   and name HA  ))
      3.000     1.200     1.200 peak   280 spectrum    1 weight  0.11000E+01 volume  0.94320E-02 ppm1      0.724 ppm2      3.944 CV     1
 ASSI {  282}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 9    and name HA  ))
      2.400     2.400     3.600 peak   282 spectrum    1 weight  0.11000E+01 volume  0.91393E-02 ppm1      0.854 ppm2      3.877 CV     1
 ASSI {  284}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HG1 ))
      2.400     0.700     0.700 peak   284 spectrum    1 weight  0.11000E+01 volume  0.50720E-02 ppm1      0.945 ppm2      3.826 CV     1
 ASSI {  285}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak   285 spectrum    1 weight  0.11000E+01 volume  0.30217E-02 ppm1      0.945 ppm2      3.617 CV     1
 ASSI {  287}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 31   and name HA  ))
      2.700     2.700     3.300 peak   287 spectrum    1 weight  0.11000E+01 volume  0.11813E-02 ppm1      1.431 ppm2      3.835 CV     1
 ASSI {  288}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
      2.900     2.900     3.100 peak   288 spectrum    1 weight  0.11000E+01 volume  0.75719E-03 ppm1      1.358 ppm2      4.555 CV     1
 ASSI {  292}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 22   and name HA1 ))
      4.600     4.600     1.400 peak   292 spectrum    1 weight  0.11000E+01 volume  0.71652E-03 ppm1      0.787 ppm2      3.448 CV     1
 ASSI {  300}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 36   and name HG1 ))
      3.100     1.200     1.200 peak   300 spectrum    1 weight  0.11000E+01 volume  0.11856E-02 ppm1      1.099 ppm2      3.833 CV     1
 ASSI {  301}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 43   and name HA  ))
      2.200     0.600     0.600 peak   301 spectrum    1 weight  0.11000E+01 volume  0.74429E-02 ppm1      1.098 ppm2      3.595 CV     1
 ASSI {  303}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      5.000     3.100     1.000 peak   303 spectrum    1 weight  0.11000E+01 volume  0.49940E-03 ppm1      0.892 ppm2      3.857 CV     1
 ASSI {  306}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.800     0.800 peak   306 spectrum    1 weight  0.11000E+01 volume  0.31115E-02 ppm1      0.754 ppm2      4.315 CV     1
 ASSI {  308}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
      4.000     2.000     2.000 peak   308 spectrum    1 weight  0.11000E+01 volume  0.16797E-02 ppm1      0.834 ppm2      3.616 CV     1
 ASSI {  309}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HA  ))
      4.200     2.200     1.800 peak   309 spectrum    1 weight  0.11000E+01 volume  0.55409E-03 ppm1      0.815 ppm2      4.404 CV     1
 ASSI {  310}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      3.100     1.200     1.200 peak   310 spectrum    1 weight  0.11000E+01 volume  0.40911E-02 ppm1      0.795 ppm2      3.983 CV     1
 ASSI {  311}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 40   and name HA  ))
      3.300     1.400     1.400 peak   311 spectrum    1 weight  0.11000E+01 volume  0.29703E-02 ppm1      0.797 ppm2      3.539 CV     1
 ASSI {  312}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 42   and name HB% )
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.11000E+01 volume  0.35334E-02 ppm1      4.604 ppm2      1.359 CV     1
 ASSI {  313}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      2.400     0.700     0.700 peak   313 spectrum    1 weight  0.11000E+01 volume  0.38797E-02 ppm1      4.604 ppm2      0.944 CV     1
 ASSI {  314}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG12))
      2.400     0.700     0.700 peak   314 spectrum    1 weight  0.11000E+01 volume  0.37175E-02 ppm1      3.616 ppm2      1.860 CV     1
 ASSI {  315}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG11))
      3.000     1.100     1.100 peak   315 spectrum    1 weight  0.11000E+01 volume  0.32125E-02 ppm1      3.618 ppm2      1.034 CV     1
 ASSI {  316}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 34   and name HG2%)
      2.300     0.700     0.700 peak   316 spectrum    1 weight  0.11000E+01 volume  0.80702E-02 ppm1      3.619 ppm2      0.879 CV     1
 ASSI {  319}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG12))
      2.200     0.600     0.600 peak   319 spectrum    1 weight  0.11000E+01 volume  0.30989E-02 ppm1      3.528 ppm2      1.324 CV     1
 ASSI {  320}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 43   and name HB% )
      2.300     0.700     0.700 peak   320 spectrum    1 weight  0.11000E+01 volume  0.45620E-02 ppm1      3.527 ppm2      1.117 CV     1
 ASSI {  321}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HG2%)
      2.800     1.000     1.000 peak   321 spectrum    1 weight  0.11000E+01 volume  0.37442E-02 ppm1      3.526 ppm2      0.813 CV     1
 ASSI {  322}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      3.200     1.300     1.300 peak   322 spectrum    1 weight  0.11000E+01 volume  0.21583E-02 ppm1      3.527 ppm2      0.207 CV     1
 ASSI {  325}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      2.300     0.700     0.700 peak   325 spectrum    1 weight  0.11000E+01 volume  0.97927E-02 ppm1      3.883 ppm2      0.877 CV     1
 ASSI {  329}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB1 ))
      2.700     0.900     0.900 peak   329 spectrum    1 weight  0.11000E+01 volume  0.22816E-02 ppm1      4.417 ppm2      1.917 CV     1
 ASSI {  330}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG11))
      4.400     4.400     1.600 peak   330 spectrum    1 weight  0.11000E+01 volume  0.83664E-03 ppm1      4.415 ppm2      1.145 CV     1
 ASSI {  331}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB  ))
      2.500     0.800     0.800 peak   331 spectrum    1 weight  0.11000E+01 volume  0.62115E-02 ppm1      4.415 ppm2      2.208 CV     1
 ASSI {  332}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      2.300     0.700     0.700 peak   332 spectrum    1 weight  0.11000E+01 volume  0.81676E-02 ppm1      4.414 ppm2      0.797 CV     1
 ASSI {  333}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG1 ))
      2.300     0.700     0.700 peak   333 spectrum    1 weight  0.11000E+01 volume  0.33796E-02 ppm1      3.967 ppm2      2.490 CV     1
 ASSI {  334}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
      3.700     1.700     1.700 peak   334 spectrum    1 weight  0.11000E+01 volume  0.24901E-02 ppm1      4.505 ppm2      1.379 CV     1
 ASSI {  335}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HG2%)
      2.500     0.800     0.800 peak   335 spectrum    1 weight  0.11000E+01 volume  0.61542E-02 ppm1      4.506 ppm2      0.947 CV     1
 ASSI {  336}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.200     0.600     0.600 peak   336 spectrum    1 weight  0.11000E+01 volume  0.68572E-02 ppm1      3.883 ppm2      2.381 CV     1
 ASSI {  337}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HD1%)
      2.900     2.900     3.100 peak   337 spectrum    1 weight  0.11000E+01 volume  0.18995E-02 ppm1      3.884 ppm2      0.877 CV     1
 ASSI {  338}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG1 ))
      3.400     1.400     1.400 peak   338 spectrum    1 weight  0.11000E+01 volume  0.27548E-02 ppm1      3.773 ppm2      1.578 CV     1
 ASSI {  340}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.600     0.800     0.800 peak   340 spectrum    1 weight  0.11000E+01 volume  0.56104E-02 ppm1      3.772 ppm2      1.843 CV     1
 ASSI {  341}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.200     0.600     0.600 peak   341 spectrum    1 weight  0.11000E+01 volume  0.97724E-02 ppm1      3.970 ppm2      2.012 CV     1
 ASSI {  347}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      2.500     0.800     0.800 peak   347 spectrum    1 weight  0.11000E+01 volume  0.86054E-02 ppm1      4.100 ppm2      2.318 CV     1
 ASSI {  348}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.700     0.900     0.900 peak   348 spectrum    1 weight  0.11000E+01 volume  0.10181E-01 ppm1      4.062 ppm2      2.430 CV     1
 ASSI {  349}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.000     0.500     0.500 peak   349 spectrum    1 weight  0.11000E+01 volume  0.16439E-01 ppm1      4.061 ppm2      2.055 CV     1
 ASSI {  350}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG1 ))
      2.600     0.900     0.900 peak   350 spectrum    1 weight  0.11000E+01 volume  0.10631E-01 ppm1      4.053 ppm2      2.373 CV     1
 ASSI {  355}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      2.200     0.600     0.600 peak   355 spectrum    1 weight  0.11000E+01 volume  0.91222E-02 ppm1      3.853 ppm2      1.762 CV     1
 ASSI {  357}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.200     0.600     0.600 peak   357 spectrum    1 weight  0.11000E+01 volume  0.10796E-01 ppm1      4.024 ppm2      1.850 CV     1
 ASSI {  358}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      2.600     0.800     0.800 peak   358 spectrum    1 weight  0.11000E+01 volume  0.36152E-02 ppm1      4.021 ppm2      1.673 CV     1
 ASSI {  359}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
      3.000     1.200     1.200 peak   359 spectrum    1 weight  0.11000E+01 volume  0.30890E-02 ppm1      4.021 ppm2      1.514 CV     1
 ASSI {  367}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      1.900     0.400     0.400 peak   367 spectrum    1 weight  0.11000E+01 volume  0.12377E-01 ppm1      3.858 ppm2      1.922 CV     1
 ASSI {  368}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      1.600     0.300     0.600 peak   368 spectrum    1 weight  0.11000E+01 volume  0.11126E-01 ppm1      3.848 ppm2      1.515 CV     1
 ASSI {  370}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
      4.000     4.000     2.000 peak   370 spectrum    1 weight  0.11000E+01 volume  0.79272E-03 ppm1      4.613 ppm2      0.802 CV     1
 ASSI {  371}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.600     0.900     0.900 peak   371 spectrum    1 weight  0.11000E+01 volume  0.27105E-02 ppm1      4.355 ppm2      2.901 CV     1
 ASSI {  372}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.900     1.000     1.000 peak   372 spectrum    1 weight  0.11000E+01 volume  0.32112E-02 ppm1      4.355 ppm2      2.731 CV     1
 ASSI {  373}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 24   and name HD1%)
      4.100     2.100     1.900 peak   373 spectrum    1 weight  0.11000E+01 volume  0.46680E-03 ppm1      4.357 ppm2      0.795 CV     1
 ASSI {  374}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.100     1.200     1.200 peak   374 spectrum    1 weight  0.11000E+01 volume  0.25099E-02 ppm1      3.934 ppm2      1.520 CV     1
 ASSI {  375}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.500     0.800     0.800 peak   375 spectrum    1 weight  0.11000E+01 volume  0.38163E-02 ppm1      3.936 ppm2      1.183 CV     1
 ASSI {  377}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
      3.400     1.400     1.400 peak   377 spectrum    1 weight  0.11000E+01 volume  0.86681E-03 ppm1      3.933 ppm2      0.244 CV     1
 ASSI {  378}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
      2.700     0.900     0.900 peak   378 spectrum    1 weight  0.11000E+01 volume  0.40303E-02 ppm1      3.930 ppm2      1.345 CV     1
 ASSI {  381}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.700     0.900     0.900 peak   381 spectrum    1 weight  0.11000E+01 volume  0.18314E-02 ppm1      3.592 ppm2      0.044 CV     1
 ASSI {  382}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
      2.800     1.000     1.000 peak   382 spectrum    1 weight  0.11000E+01 volume  0.11041E-02 ppm1      3.587 ppm2      1.342 CV     1
 ASSI {  384}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.300     0.600     0.600 peak   384 spectrum    1 weight  0.11000E+01 volume  0.72021E-02 ppm1      4.313 ppm2      2.665 CV     1
 ASSI {  385}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      3.300     1.300     1.300 peak   385 spectrum    1 weight  0.11000E+01 volume  0.24926E-02 ppm1      4.313 ppm2      1.733 CV     1
 ASSI {  387}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG1 ))
      3.000     1.100     1.100 peak   387 spectrum    1 weight  0.11000E+01 volume  0.76607E-02 ppm1      4.342 ppm2      2.581 CV     1
 ASSI {  388}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      2.300     0.700     0.700 peak   388 spectrum    1 weight  0.11000E+01 volume  0.70380E-02 ppm1      4.335 ppm2      2.847 CV     1
 ASSI {  389}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.700     0.900     0.900 peak   389 spectrum    1 weight  0.11000E+01 volume  0.46486E-02 ppm1      4.256 ppm2      1.834 CV     1
 ASSI {  392}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.500     0.800     0.800 peak   392 spectrum    1 weight  0.11000E+01 volume  0.45679E-02 ppm1      4.331 ppm2      2.342 CV     1
 ASSI {  394}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.700     0.900     0.900 peak   394 spectrum    1 weight  0.11000E+01 volume  0.52064E-02 ppm1      4.322 ppm2      2.124 CV     1
 ASSI {  396}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB1 ))
      2.300     0.700     0.700 peak   396 spectrum    1 weight  0.11000E+01 volume  0.63878E-02 ppm1      4.261 ppm2      1.597 CV     1
 ASSI {  399}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      2.600     0.800     0.800 peak   399 spectrum    1 weight  0.11000E+01 volume  0.19245E-02 ppm1      4.061 ppm2      2.265 CV     1
 ASSI {  400}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 32   and name HB% )
      2.600     0.900     0.900 peak   400 spectrum    1 weight  0.11000E+01 volume  0.32890E-02 ppm1      4.060 ppm2      1.324 CV     1
 ASSI {  401}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
      2.500     2.500     3.500 peak   401 spectrum    1 weight  0.11000E+01 volume  0.41174E-02 ppm1      4.058 ppm2      0.734 CV     1
 ASSI {  402}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
      4.300     2.300     1.700 peak   402 spectrum    1 weight  0.11000E+01 volume  0.80359E-03 ppm1      4.059 ppm2      0.505 CV     1
 ASSI {  403}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
      2.700     2.700     3.300 peak   403 spectrum    1 weight  0.11000E+01 volume  0.32293E-02 ppm1      4.059 ppm2      0.242 CV     1
 ASSI {  404}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.700     0.900     0.900 peak   404 spectrum    1 weight  0.11000E+01 volume  0.19429E-02 ppm1      3.621 ppm2      1.847 CV     1
 ASSI {  405}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 32   and name HB% )
      2.400     0.700     0.700 peak   405 spectrum    1 weight  0.11000E+01 volume  0.35730E-02 ppm1      3.620 ppm2      1.343 CV     1
 ASSI {  408}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak   408 spectrum    1 weight  0.11000E+01 volume  0.63657E-02 ppm1      4.372 ppm2      1.604 CV     1
 ASSI {  409}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 46   and name HD2 ))
      3.600     1.600     1.600 peak   409 spectrum    1 weight  0.11000E+01 volume  0.98134E-03 ppm1      3.964 ppm2      2.914 CV     1
 ASSI {  410}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HB% )
      2.200     0.600     0.600 peak   410 spectrum    1 weight  0.11000E+01 volume  0.91551E-02 ppm1      3.963 ppm2      1.359 CV     1
 ASSI {  412}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HB% )
      2.200     0.600     0.600 peak   412 spectrum    1 weight  0.11000E+01 volume  0.14756E-01 ppm1      4.126 ppm2      1.428 CV     1
 ASSI {  413}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 34   and name HG2%)
      2.800     1.000     1.000 peak   413 spectrum    1 weight  0.11000E+01 volume  0.35579E-02 ppm1      4.125 ppm2      0.892 CV     1
 ASSI {  414}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.000     1.000 peak   414 spectrum    1 weight  0.11000E+01 volume  0.47577E-02 ppm1      3.986 ppm2      2.052 CV     1
 ASSI {  415}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HB% )
      2.100     0.600     0.600 peak   415 spectrum    1 weight  0.11000E+01 volume  0.12528E-01 ppm1      3.986 ppm2      1.288 CV     1
 ASSI {  416}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG1 ))
      3.900     1.900     1.900 peak   416 spectrum    1 weight  0.11000E+01 volume  0.86636E-03 ppm1      4.679 ppm2      2.574 CV     1
 ASSI {  417}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.900     1.100     1.100 peak   417 spectrum    1 weight  0.11000E+01 volume  0.30702E-02 ppm1      4.680 ppm2      2.147 CV     1
 ASSI {  418}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.400     0.700     0.700 peak   418 spectrum    1 weight  0.11000E+01 volume  0.46377E-02 ppm1      4.680 ppm2      1.968 CV     1
 ASSI {  419}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.300     1.300     1.300 peak   419 spectrum    1 weight  0.11000E+01 volume  0.31057E-02 ppm1      4.137 ppm2      2.015 CV     1
 ASSI {  420}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.800     1.000     1.000 peak   420 spectrum    1 weight  0.11000E+01 volume  0.22103E-02 ppm1      4.524 ppm2      2.819 CV     1
 ASSI {  421}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.700     0.900     0.900 peak   421 spectrum    1 weight  0.11000E+01 volume  0.43893E-02 ppm1      4.522 ppm2      2.597 CV     1
 ASSI {  422}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HB  ))
      5.200     3.400     0.800 peak   422 spectrum    1 weight  0.11000E+01 volume  0.50337E-03 ppm1      4.522 ppm2      1.671 CV     1
 ASSI {  423}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 40   and name HG2%)
      4.700     2.800     1.300 peak   423 spectrum    1 weight  0.11000E+01 volume  0.63237E-03 ppm1      4.522 ppm2      0.838 CV     1
 ASSI {  424}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.700     1.800     1.800 peak   424 spectrum    1 weight  0.11000E+01 volume  0.59779E-03 ppm1      4.788 ppm2      2.594 CV     1
 ASSI {  425}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 7    and name HG1 ))
      1.900     0.400     0.400 peak   425 spectrum    1 weight  0.11000E+01 volume  0.19886E-01 ppm1      3.794 ppm2      2.059 CV     1
 ASSI {  426}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 2    and name HB2 ))
      3.400     1.500     1.500 peak   426 spectrum    1 weight  0.11000E+01 volume  0.99983E-03 ppm1      3.518 ppm2      2.264 CV     1
 ASSI {  427}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 2    and name HG2 ))
      2.200     0.600     0.600 peak   427 spectrum    1 weight  0.11000E+01 volume  0.85784E-02 ppm1      3.518 ppm2      1.948 CV     1
 ASSI {  428}
   (( segid "    " and resid 38   and name HA2 ))
   (  segid "    " and resid 33   and name HD1%)
      4.500     4.500     1.500 peak   428 spectrum    1 weight  0.11000E+01 volume  0.92764E-03 ppm1      3.970 ppm2      0.209 CV     1
 ASSI {  431}
   (( segid "    " and resid 22   and name HA2 ))
   (  segid "    " and resid 24   and name HD1%)
      3.300     3.300     2.700 peak   431 spectrum    1 weight  0.11000E+01 volume  0.99063E-03 ppm1      4.075 ppm2      0.800 CV     1
 ASSI {  432}
   (( segid "    " and resid 22   and name HA1 ))
   (  segid "    " and resid 24   and name HD1%)
      3.900     1.900     1.900 peak   432 spectrum    1 weight  0.11000E+01 volume  0.11344E-02 ppm1      3.447 ppm2      0.797 CV     1
 ASSI {  435}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB1 ))
      2.200     0.600     0.600 peak   435 spectrum    1 weight  0.11000E+01 volume  0.25465E-02 ppm1      3.460 ppm2      2.744 CV     1
 ASSI {  442}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB2 ))
      2.600     0.800     0.800 peak   442 spectrum    1 weight  0.11000E+01 volume  0.64365E-02 ppm1      0.518 ppm2      1.509 CV     1
 ASSI {  443}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HG  ))
      2.100     0.600     0.600 peak   443 spectrum    1 weight  0.11000E+01 volume  0.60681E-02 ppm1      0.518 ppm2      1.337 CV     1
 ASSI {  444}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 29   and name HB1 ))
      4.700     2.800     1.300 peak   444 spectrum    1 weight  0.11000E+01 volume  0.65853E-03 ppm1      0.499 ppm2      2.262 CV     1
 ASSI {  445}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name HG  ))
      2.100     0.500     0.500 peak   445 spectrum    1 weight  0.11000E+01 volume  0.76165E-02 ppm1      0.499 ppm2      1.729 CV     1
 ASSI {  447}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 43   and name HB% )
      3.400     1.500     1.500 peak   447 spectrum    1 weight  0.11000E+01 volume  0.95533E-03 ppm1      0.501 ppm2      1.120 CV     1
 ASSI {  448}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 44   and name HA  ))
      2.500     2.500     3.500 peak   448 spectrum    1 weight  0.11000E+01 volume  0.17741E-02 ppm1      0.241 ppm2      2.968 CV     1
 ASSI {  449}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 47   and name HB2 ))
      3.400     1.400     1.400 peak   449 spectrum    1 weight  0.11000E+01 volume  0.33497E-02 ppm1      0.242 ppm2      1.516 CV     1
 ASSI {  450}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 47   and name HG  ))
      2.200     0.600     0.600 peak   450 spectrum    1 weight  0.11000E+01 volume  0.70213E-02 ppm1      0.240 ppm2      1.341 CV     1
 ASSI {  451}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 47   and name HB1 ))
      2.300     2.300     3.700 peak   451 spectrum    1 weight  0.11000E+01 volume  0.56307E-02 ppm1      0.242 ppm2      1.182 CV     1
 ASSI {  452}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HB1 ))
      2.300     2.300     3.700 peak   452 spectrum    1 weight  0.11000E+01 volume  0.57191E-02 ppm1      0.501 ppm2      1.528 CV     1
 ASSI {  453}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HG  ))
      2.200     0.600     0.600 peak   453 spectrum    1 weight  0.11000E+01 volume  0.53412E-02 ppm1      0.497 ppm2      1.732 CV     1
 ASSI {  458}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG  ))
      2.300     0.600     0.600 peak   458 spectrum    1 weight  0.11000E+01 volume  0.48555E-02 ppm1      0.200 ppm2      1.335 CV     1
 ASSI {  459}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 43   and name HB% )
      2.500     2.500     3.500 peak   459 spectrum    1 weight  0.11000E+01 volume  0.34127E-02 ppm1      0.199 ppm2      1.105 CV     1
 ASSI {  460}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 41   and name HN  ))
      4.400     2.400     1.600 peak   460 spectrum    1 weight  0.11000E+01 volume  0.11161E-02 ppm1      0.757 ppm2      7.926 CV     1
 ASSI {  461}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      4.500     4.500     1.500 peak   461 spectrum    1 weight  0.11000E+01 volume  0.51094E-04 ppm1      0.795 ppm2      9.296 CV     1
 ASSI {  463}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      3.100     3.100     2.900 peak   463 spectrum    1 weight  0.11000E+01 volume  0.50842E-03 ppm1      0.836 ppm2      8.055 CV     1
 ASSI {  465}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     2.700     3.300 peak   465 spectrum    1 weight  0.11000E+01 volume  0.11494E-02 ppm1      3.522 ppm2      8.846 CV     1
 ASSI {  466}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.100     1.200     1.200 peak   466 spectrum    1 weight  0.11000E+01 volume  0.12244E-02 ppm1      3.522 ppm2      8.324 CV     1
 ASSI {  467}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      4.500     2.500     1.500 peak   467 spectrum    1 weight  0.11000E+01 volume  0.25659E-03 ppm1      3.531 ppm2      8.074 CV     1
 ASSI {  468}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      4.700     2.700     1.300 peak   468 spectrum    1 weight  0.11000E+01 volume  0.35033E-03 ppm1      3.529 ppm2      0.503 CV     1
 ASSI {  469}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      6.000     6.000     0.000 peak   469 spectrum    1 weight  0.11000E+01 volume  0.10188E-03 ppm1      0.193 ppm2      8.326 CV     1
 ASSI {  472}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 11   and name HD% )
      4.200     2.200     1.800 peak   472 spectrum    1 weight  0.11000E+01 volume  0.84057E-03 ppm1      0.200 ppm2      7.018 CV     1
 ASSI {  474}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 44   and name HN  ))
      3.800     1.800     1.800 peak   474 spectrum    1 weight  0.11000E+01 volume  0.10196E-02 ppm1      0.490 ppm2      8.284 CV     1
 ASSI {  477}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
      4.500     2.600     1.500 peak   477 spectrum    1 weight  0.11000E+01 volume  0.35371E-03 ppm1      0.728 ppm2      8.616 CV     1
 ASSI {  480}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      6.000     6.000     0.000 peak   480 spectrum    1 weight  0.11000E+01 volume  0.11783E-03 ppm1      0.724 ppm2      7.463 CV     1
 ASSI {  481}
   (  segid "    " and resid 47   and name HD1%)
   (  segid "    " and resid 23   and name HD% )
      3.300     3.300     2.700 peak   481 spectrum    1 weight  0.11000E+01 volume  0.90135E-03 ppm1      0.722 ppm2      7.208 CV     1
 ASSI {  483}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 49   and name HN  ))
      3.200     3.200     2.800 peak   483 spectrum    1 weight  0.11000E+01 volume  0.40003E-03 ppm1      0.982 ppm2      7.825 CV     1
 ASSI {  485}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      3.100     1.200     1.200 peak   485 spectrum    1 weight  0.11000E+01 volume  0.47875E-03 ppm1      0.935 ppm2      7.890 CV     1
 ASSI {  486}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
      3.100     3.100     2.900 peak   486 spectrum    1 weight  0.11000E+01 volume  0.52041E-03 ppm1      0.935 ppm2      8.064 CV     1
 ASSI {  487}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      3.100     3.100     2.900 peak   487 spectrum    1 weight  0.11000E+01 volume  0.52352E-03 ppm1      0.934 ppm2      8.629 CV     1
 ASSI {  489}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      5.300     3.500     0.700 peak   489 spectrum    1 weight  0.11000E+01 volume  0.95217E-04 ppm1      4.207 ppm2      8.314 CV     1
 ASSI {  491}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      5.500     3.800     0.500 peak   491 spectrum    1 weight  0.11000E+01 volume  0.54084E-04 ppm1      4.200 ppm2      1.599 CV     1
 ASSI {  492}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      4.100     2.200     1.900 peak   492 spectrum    1 weight  0.11000E+01 volume  0.36004E-03 ppm1      3.793 ppm2      4.200 CV     1
 ASSI {  494}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.700     2.700     1.300 peak   494 spectrum    1 weight  0.11000E+01 volume  0.61655E-03 ppm1      4.370 ppm2      3.793 CV     1
 ASSI {  496}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.200     1.300     1.300 peak   496 spectrum    1 weight  0.11000E+01 volume  0.12289E-02 ppm1      3.621 ppm2      7.465 CV     1
 ASSI {  497}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      4.500     2.500     1.500 peak   497 spectrum    1 weight  0.11000E+01 volume  0.57957E-03 ppm1      3.615 ppm2      8.060 CV     1
 ASSI {  498}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      5.600     3.900     0.400 peak   498 spectrum    1 weight  0.11000E+01 volume  0.87339E-04 ppm1      3.625 ppm2      7.700 CV     1
 ASSI {  501}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      5.200     5.200     0.800 peak   501 spectrum    1 weight  0.11000E+01 volume  0.21723E-03 ppm1      3.593 ppm2      7.013 CV     1
 ASSI {  503}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.600     1.600 peak   503 spectrum    1 weight  0.11000E+01 volume  0.55545E-03 ppm1      3.593 ppm2      8.629 CV     1
 ASSI {  505}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      4.900     3.000     1.100 peak   505 spectrum    1 weight  0.11000E+01 volume  0.28281E-03 ppm1      3.593 ppm2      8.924 CV     1
 ASSI {  506}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      4.800     2.900     1.200 peak   506 spectrum    1 weight  0.11000E+01 volume  0.32430E-03 ppm1      3.621 ppm2      3.998 CV     1
 ASSI {  507}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
      3.600     1.600     1.600 peak   507 spectrum    1 weight  0.11000E+01 volume  0.71652E-03 ppm1      3.617 ppm2      3.829 CV     1
 ASSI {  508}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HD1 ))
      4.000     2.000     2.000 peak   508 spectrum    1 weight  0.11000E+01 volume  0.51509E-03 ppm1      3.622 ppm2      3.083 CV     1
 ASSI {  509}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HD2 ))
      3.400     1.400     1.400 peak   509 spectrum    1 weight  0.11000E+01 volume  0.60830E-03 ppm1      3.622 ppm2      2.919 CV     1
 ASSI {  510}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      4.400     2.400     1.600 peak   510 spectrum    1 weight  0.11000E+01 volume  0.87380E-03 ppm1      3.624 ppm2      1.658 CV     1
 ASSI {  511}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
      2.900     1.100     1.100 peak   511 spectrum    1 weight  0.11000E+01 volume  0.16656E-02 ppm1      3.619 ppm2      1.494 CV     1
 ASSI {  512}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      4.300     4.300     1.700 peak   512 spectrum    1 weight  0.11000E+01 volume  0.74172E-04 ppm1      3.620 ppm2      0.504 CV     1
 ASSI {  513}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      4.100     2.100     1.900 peak   513 spectrum    1 weight  0.11000E+01 volume  0.93815E-03 ppm1      3.619 ppm2      0.218 CV     1
 ASSI {  514}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HA  ))
      4.300     2.400     1.700 peak   514 spectrum    1 weight  0.11000E+01 volume  0.98234E-03 ppm1      3.084 ppm2      4.003 CV     1
 ASSI {  515}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HA  ))
      4.200     2.200     1.800 peak   515 spectrum    1 weight  0.11000E+01 volume  0.14221E-02 ppm1      2.917 ppm2      3.991 CV     1
 ASSI {  518}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HD1 ))
      1.700     0.400     0.500 peak   518 spectrum    1 weight  0.11000E+01 volume  0.12538E-01 ppm1      2.917 ppm2      3.086 CV     1
 ASSI {  522}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HD21))
      3.300     1.400     1.400 peak   522 spectrum    1 weight  0.11000E+01 volume  0.16557E-02 ppm1      3.333 ppm2      7.765 CV     1
 ASSI {  523}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      5.400     3.600     0.600 peak   523 spectrum    1 weight  0.11000E+01 volume  0.19625E-03 ppm1      3.332 ppm2      8.322 CV     1
 ASSI {  524}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      4.000     2.000     2.000 peak   524 spectrum    1 weight  0.11000E+01 volume  0.63305E-03 ppm1      2.592 ppm2      8.330 CV     1
 ASSI {  525}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HD22))
      3.900     1.900     1.900 peak   525 spectrum    1 weight  0.11000E+01 volume  0.10804E-02 ppm1      2.593 ppm2      7.034 CV     1
 ASSI {  526}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HD22))
      3.800     1.800     1.800 peak   526 spectrum    1 weight  0.11000E+01 volume  0.14438E-02 ppm1      3.342 ppm2      7.036 CV     1
 ASSI {  527}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HD21))
      2.700     0.900     0.900 peak   527 spectrum    1 weight  0.11000E+01 volume  0.23632E-02 ppm1      2.591 ppm2      7.770 CV     1
 ASSI {  529}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 28   and name HB% )
      3.600     1.600     1.600 peak   529 spectrum    1 weight  0.11000E+01 volume  0.25285E-02 ppm1      3.332 ppm2      1.285 CV     1
 ASSI {  530}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 28   and name HB% )
      2.600     0.800     0.800 peak   530 spectrum    1 weight  0.11000E+01 volume  0.25211E-02 ppm1      2.594 ppm2      1.283 CV     1
 ASSI {  531}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.300     1.400     1.400 peak   531 spectrum    1 weight  0.11000E+01 volume  0.10298E-02 ppm1      4.788 ppm2      3.326 CV     1
 ASSI {  532}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      4.000     2.000     2.000 peak   532 spectrum    1 weight  0.11000E+01 volume  0.12390E-02 ppm1      4.787 ppm2      1.836 CV     1
 ASSI {  533}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      4.900     3.000     1.100 peak   533 spectrum    1 weight  0.11000E+01 volume  0.10577E-02 ppm1      4.787 ppm2      1.736 CV     1
 ASSI {  534}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.100     1.200     1.200 peak   534 spectrum    1 weight  0.11000E+01 volume  0.15081E-02 ppm1      4.616 ppm2      3.454 CV     1
 ASSI {  535}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.100     1.200     1.200 peak   535 spectrum    1 weight  0.11000E+01 volume  0.11825E-02 ppm1      4.619 ppm2      2.732 CV     1
 ASSI {  536}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HG11))
      5.500     3.700     0.500 peak   536 spectrum    1 weight  0.11000E+01 volume  0.90848E-03 ppm1      4.616 ppm2      1.129 CV     1
 ASSI {  537}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     2.600     3.400 peak   537 spectrum    1 weight  0.11000E+01 volume  0.17452E-02 ppm1      3.457 ppm2      7.847 CV     1
 ASSI {  539}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 23   and name HD% )
      2.600     0.800     0.800 peak   539 spectrum    1 weight  0.11000E+01 volume  0.24879E-02 ppm1      3.459 ppm2      7.231 CV     1
 ASSI {  540}
   (( segid "    " and resid 23   and name HB1 ))
   (  segid "    " and resid 23   and name HD% )
      3.000     1.100     1.100 peak   540 spectrum    1 weight  0.11000E+01 volume  0.14734E-02 ppm1      2.741 ppm2      7.231 CV     1
 ASSI {  541}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 29   and name HD22))
      4.700     2.800     1.300 peak   541 spectrum    1 weight  0.11000E+01 volume  0.22854E-03 ppm1      3.461 ppm2      6.603 CV     1
 ASSI {  543}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     5.300     0.000 peak   543 spectrum    1 weight  0.11000E+01 volume  0.91957E-04 ppm1      3.464 ppm2      2.277 CV     1
 ASSI {  545}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.200     4.200     1.800 peak   545 spectrum    1 weight  0.11000E+01 volume  0.64423E-03 ppm1      3.459 ppm2      1.488 CV     1
 ASSI {  546}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
      4.600     2.700     1.400 peak   546 spectrum    1 weight  0.11000E+01 volume  0.17147E-03 ppm1      3.458 ppm2      0.774 CV     1
 ASSI {  547}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
      3.200     3.200     2.800 peak   547 spectrum    1 weight  0.11000E+01 volume  0.11094E-02 ppm1      3.459 ppm2      0.497 CV     1
 ASSI {  549}
   (( segid "    " and resid 23   and name HB1 ))
   (  segid "    " and resid 47   and name HD2%)
      3.900     1.900     1.900 peak   549 spectrum    1 weight  0.11000E+01 volume  0.50679E-03 ppm1      2.738 ppm2      0.249 CV     1
 ASSI {  550}
   (( segid "    " and resid 23   and name HB1 ))
   (  segid "    " and resid 18   and name HD2%)
      3.800     1.800     1.800 peak   550 spectrum    1 weight  0.11000E+01 volume  0.11198E-02 ppm1      2.744 ppm2      0.498 CV     1
 ASSI {  551}
   (( segid "    " and resid 23   and name HB1 ))
   (  segid "    " and resid 47   and name HD1%)
      4.800     4.800     1.200 peak   551 spectrum    1 weight  0.11000E+01 volume  0.74722E-04 ppm1      2.746 ppm2      0.779 CV     1
 ASSI {  552}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 18   and name HB1 ))
      3.500     1.500     1.500 peak   552 spectrum    1 weight  0.11000E+01 volume  0.62836E-03 ppm1      2.744 ppm2      1.486 CV     1
 ASSI {  555}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.700     1.800     1.800 peak   555 spectrum    1 weight  0.11000E+01 volume  0.81450E-03 ppm1      3.985 ppm2      8.611 CV     1
 ASSI {  556}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HG2 ))
      3.500     1.500     1.500 peak   556 spectrum    1 weight  0.11000E+01 volume  0.14728E-02 ppm1      3.986 ppm2      2.451 CV     1
 ASSI {  557}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
      3.900     1.900     1.900 peak   557 spectrum    1 weight  0.11000E+01 volume  0.14595E-02 ppm1      3.982 ppm2      0.741 CV     1
 ASSI {  559}
   (  segid "    " and resid 28   and name HB% )
   (( segid "    " and resid 25   and name HD22))
      4.200     2.200     1.800 peak   559 spectrum    1 weight  0.11000E+01 volume  0.72914E-03 ppm1      1.286 ppm2      7.054 CV     1
 ASSI {  562}
   (  segid "    " and resid 28   and name HB% )
   (( segid "    " and resid 29   and name HB1 ))
      4.500     4.500     1.500 peak   562 spectrum    1 weight  0.11000E+01 volume  0.64036E-03 ppm1      1.290 ppm2      2.276 CV     1
 ASSI {  563}
   (  segid "    " and resid 28   and name HB% )
   (( segid "    " and resid 27   and name HB2 ))
      3.100     3.100     2.900 peak   563 spectrum    1 weight  0.11000E+01 volume  0.44719E-02 ppm1      1.290 ppm2      2.060 CV     1
 ASSI {  564}
   (  segid "    " and resid 28   and name HB% )
   (  segid "    " and resid 47   and name HD1%)
      3.100     3.100     2.900 peak   564 spectrum    1 weight  0.11000E+01 volume  0.45895E-02 ppm1      1.287 ppm2      0.725 CV     1
 ASSI {  566}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.500     1.500 peak   566 spectrum    1 weight  0.11000E+01 volume  0.74907E-03 ppm1      4.059 ppm2      8.055 CV     1
 ASSI {  568}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.300     3.500     0.700 peak   568 spectrum    1 weight  0.11000E+01 volume  0.34115E-03 ppm1      4.055 ppm2      1.863 CV     1
 ASSI {  569}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      5.300     3.600     0.700 peak   569 spectrum    1 weight  0.11000E+01 volume  0.49448E-03 ppm1      4.056 ppm2      1.530 CV     1
 ASSI {  570}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   570 spectrum    1 weight  0.11000E+01 volume  0.16091E-02 ppm1      2.939 ppm2      8.614 CV     1
 ASSI {  571}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak   571 spectrum    1 weight  0.11000E+01 volume  0.18113E-02 ppm1      2.930 ppm2      8.419 CV     1
 ASSI {  574}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD21))
      3.100     1.200     1.200 peak   574 spectrum    1 weight  0.11000E+01 volume  0.34235E-03 ppm1      2.259 ppm2      7.367 CV     1
 ASSI {  575}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD21))
      3.500     1.500     1.500 peak   575 spectrum    1 weight  0.11000E+01 volume  0.46188E-03 ppm1      2.940 ppm2      7.362 CV     1
 ASSI {  576}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD22))
      4.700     2.700     1.300 peak   576 spectrum    1 weight  0.11000E+01 volume  0.31751E-03 ppm1      2.939 ppm2      6.659 CV     1
 ASSI {  577}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD22))
      4.700     2.700     1.300 peak   577 spectrum    1 weight  0.11000E+01 volume  0.29585E-03 ppm1      2.255 ppm2      6.630 CV     1
 ASSI {  578}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      3.300     1.300     1.300 peak   578 spectrum    1 weight  0.11000E+01 volume  0.12301E-02 ppm1      2.939 ppm2      4.052 CV     1
 ASSI {  579}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   579 spectrum    1 weight  0.11000E+01 volume  0.11777E-02 ppm1      2.936 ppm2      3.778 CV     1
 ASSI {  582}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HB2 ))
      1.900     0.500     0.500 peak   582 spectrum    1 weight  0.11000E+01 volume  0.29359E-02 ppm1      2.260 ppm2      2.942 CV     1
 ASSI {  584}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      4.700     2.800     1.300 peak   584 spectrum    1 weight  0.11000E+01 volume  0.10766E-02 ppm1      2.937 ppm2      1.858 CV     1
 ASSI {  585}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HG  ))
      3.700     1.700     1.700 peak   585 spectrum    1 weight  0.11000E+01 volume  0.12686E-02 ppm1      2.936 ppm2      1.664 CV     1
 ASSI {  586}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 32   and name HB% )
      5.500     5.500     0.500 peak   586 spectrum    1 weight  0.11000E+01 volume  0.12492E-03 ppm1      2.935 ppm2      1.314 CV     1
 ASSI {  587}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
      3.900     3.900     2.100 peak   587 spectrum    1 weight  0.11000E+01 volume  0.21757E-02 ppm1      2.940 ppm2      0.794 CV     1
 ASSI {  588}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      4.300     4.300     1.700 peak   588 spectrum    1 weight  0.11000E+01 volume  0.17748E-02 ppm1      2.940 ppm2      0.502 CV     1
 ASSI {  589}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
      5.400     5.400     0.600 peak   589 spectrum    1 weight  0.11000E+01 volume  0.15680E-03 ppm1      2.952 ppm2      0.244 CV     1
 ASSI {  590}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 47   and name HD2%)
      5.700     4.100     0.300 peak   590 spectrum    1 weight  0.11000E+01 volume  0.12239E-03 ppm1      2.264 ppm2      0.235 CV     1
 ASSI {  591}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      3.900     3.900     2.100 peak   591 spectrum    1 weight  0.11000E+01 volume  0.19733E-02 ppm1      2.261 ppm2      0.503 CV     1
 ASSI {  593}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 46   and name HH11))
      3.600     1.600     1.600 peak   593 spectrum    1 weight  0.11000E+01 volume  0.16052E-02 ppm1      3.959 ppm2      7.421 CV     1
 ASSI {  594}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 46   and name HH12))
      6.000     6.000     0.000 peak   594 spectrum    1 weight  0.11000E+01 volume  0.60095E-04 ppm1      3.961 ppm2      7.542 CV     1
 ASSI {  596}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HD22))
      5.300     3.500     0.700 peak   596 spectrum    1 weight  0.11000E+01 volume  0.15682E-03 ppm1      4.355 ppm2      7.005 CV     1
 ASSI {  598}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HD22))
      4.900     3.000     1.100 peak   598 spectrum    1 weight  0.11000E+01 volume  0.44169E-03 ppm1      2.736 ppm2      7.001 CV     1
 ASSI {  601}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.800     0.800 peak   601 spectrum    1 weight  0.11000E+01 volume  0.21514E-02 ppm1      2.888 ppm2      4.105 CV     1
 ASSI {  602}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   602 spectrum    1 weight  0.11000E+01 volume  0.18523E-02 ppm1      2.733 ppm2      4.101 CV     1
 ASSI {  603}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 16   and name HB2 ))
      4.400     2.400     1.600 peak   603 spectrum    1 weight  0.11000E+01 volume  0.63427E-04 ppm1      2.889 ppm2      2.164 CV     1
 ASSI {  604}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
      4.800     2.900     1.200 peak   604 spectrum    1 weight  0.11000E+01 volume  0.43055E-03 ppm1      2.735 ppm2      2.174 CV     1
 ASSI {  605}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 24   and name HD1%)
      5.500     5.500     0.500 peak   605 spectrum    1 weight  0.11000E+01 volume  0.15017E-03 ppm1      2.731 ppm2      0.782 CV     1
 ASSI {  606}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 24   and name HG2%)
      5.700     4.100     0.300 peak   606 spectrum    1 weight  0.11000E+01 volume  0.56262E-04 ppm1      2.886 ppm2      0.774 CV     1
 ASSI {  607}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HB2 ))
      1.800     0.400     0.400 peak   607 spectrum    1 weight  0.11000E+01 volume  0.85567E-02 ppm1      2.733 ppm2      2.892 CV     1
 ASSI {  609}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 24   and name HB  ))
      6.000     6.000     0.000 peak   609 spectrum    1 weight  0.11000E+01 volume  0.25047E-04 ppm1      4.361 ppm2      2.217 CV     1
 ASSI {  612}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak   612 spectrum    1 weight  0.11000E+01 volume  0.17097E-02 ppm1      4.318 ppm2      7.944 CV     1
 ASSI {  613}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      2.900     1.000     1.000 peak   613 spectrum    1 weight  0.11000E+01 volume  0.53191E-02 ppm1      4.319 ppm2      2.356 CV     1
 ASSI {  616}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HD2%)
      3.400     1.400     1.400 peak   616 spectrum    1 weight  0.11000E+01 volume  0.18789E-02 ppm1      4.309 ppm2      0.842 CV     1
 ASSI {  618}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HE21))
      2.600     0.800     0.800 peak   618 spectrum    1 weight  0.11000E+01 volume  0.15505E-02 ppm1      2.661 ppm2      7.954 CV     1
 ASSI {  620}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HE22))
      3.800     1.800     1.800 peak   620 spectrum    1 weight  0.11000E+01 volume  0.13768E-02 ppm1      2.505 ppm2      7.356 CV     1
 ASSI {  621}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HE21))
      2.800     1.000     1.000 peak   621 spectrum    1 weight  0.11000E+01 volume  0.33895E-02 ppm1      2.497 ppm2      7.953 CV     1
 ASSI {  623}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HE21))
      2.600     0.800     0.800 peak   623 spectrum    1 weight  0.11000E+01 volume  0.22135E-02 ppm1      2.462 ppm2      7.642 CV     1
 ASSI {  624}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HE21))
      3.000     1.100     1.100 peak   624 spectrum    1 weight  0.11000E+01 volume  0.36841E-02 ppm1      2.347 ppm2      7.622 CV     1
 ASSI {  625}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HE22))
      4.200     2.200     1.800 peak   625 spectrum    1 weight  0.11000E+01 volume  0.81270E-03 ppm1      2.455 ppm2      6.890 CV     1
 ASSI {  626}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HE22))
      4.700     2.800     1.300 peak   626 spectrum    1 weight  0.11000E+01 volume  0.51288E-03 ppm1      2.344 ppm2      6.887 CV     1
 ASSI {  629}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
      4.300     2.300     1.700 peak   629 spectrum    1 weight  0.11000E+01 volume  0.70024E-03 ppm1      2.458 ppm2      9.295 CV     1
 ASSI {  630}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 14   and name HN  ))
      5.500     3.800     0.500 peak   630 spectrum    1 weight  0.11000E+01 volume  0.37147E-03 ppm1      2.354 ppm2      9.298 CV     1
 ASSI {  631}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak   631 spectrum    1 weight  0.11000E+01 volume  0.51766E-03 ppm1      2.459 ppm2      8.751 CV     1
 ASSI {  632}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     6.000     0.000 peak   632 spectrum    1 weight  0.11000E+01 volume  0.41429E-04 ppm1      2.324 ppm2      8.752 CV     1
 ASSI {  634}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HE21))
      2.700     0.900     0.900 peak   634 spectrum    1 weight  0.11000E+01 volume  0.25669E-02 ppm1      2.458 ppm2      7.281 CV     1
 ASSI {  635}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HE22))
      3.300     1.400     1.400 peak   635 spectrum    1 weight  0.11000E+01 volume  0.24468E-02 ppm1      2.462 ppm2      6.866 CV     1
 ASSI {  636}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HE22))
      3.700     1.800     1.800 peak   636 spectrum    1 weight  0.11000E+01 volume  0.14604E-02 ppm1      2.341 ppm2      6.870 CV     1
 ASSI {  637}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak   637 spectrum    1 weight  0.11000E+01 volume  0.17117E-02 ppm1      2.405 ppm2      9.044 CV     1
 ASSI {  638}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HE21))
      2.700     0.900     0.900 peak   638 spectrum    1 weight  0.11000E+01 volume  0.28445E-02 ppm1      2.404 ppm2      7.671 CV     1
 ASSI {  639}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak   639 spectrum    1 weight  0.11000E+01 volume  0.29127E-02 ppm1      2.412 ppm2      7.385 CV     1
 ASSI {  640}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HE22))
      3.800     1.800     1.800 peak   640 spectrum    1 weight  0.11000E+01 volume  0.17028E-02 ppm1      2.413 ppm2      6.908 CV     1
 ASSI {  641}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.400     1.400 peak   641 spectrum    1 weight  0.11000E+01 volume  0.16734E-02 ppm1      2.411 ppm2      7.874 CV     1
 ASSI {  642}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     0.700     0.700 peak   642 spectrum    1 weight  0.11000E+01 volume  0.40269E-02 ppm1      1.950 ppm2      8.293 CV     1
 ASSI {  643}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak   643 spectrum    1 weight  0.11000E+01 volume  0.13600E-02 ppm1      2.216 ppm2      8.753 CV     1
 ASSI {  644}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak   644 spectrum    1 weight  0.11000E+01 volume  0.17176E-02 ppm1      1.950 ppm2      8.753 CV     1
 ASSI {  646}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.400     1.400 peak   646 spectrum    1 weight  0.11000E+01 volume  0.13075E-02 ppm1      4.139 ppm2      8.331 CV     1
 ASSI {  648}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
      3.800     1.800     1.800 peak   648 spectrum    1 weight  0.11000E+01 volume  0.57294E-03 ppm1      4.137 ppm2      2.364 CV     1
 ASSI {  649}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
      2.100     0.500     0.500 peak   649 spectrum    1 weight  0.11000E+01 volume  0.15213E-01 ppm1      4.144 ppm2      1.403 CV     1
 ASSI {  650}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      3.900     1.900     1.900 peak   650 spectrum    1 weight  0.11000E+01 volume  0.74623E-03 ppm1      4.126 ppm2      1.762 CV     1
 ASSI {  653}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      5.000     3.100     1.000 peak   653 spectrum    1 weight  0.11000E+01 volume  0.12533E-03 ppm1      4.126 ppm2      2.868 CV     1
 ASSI {  654}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 46   and name HD1 ))
      3.000     1.100     1.100 peak   654 spectrum    1 weight  0.11000E+01 volume  0.11444E-02 ppm1      3.964 ppm2      3.088 CV     1
 ASSI {  657}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.500     1.600     1.600 peak   657 spectrum    1 weight  0.11000E+01 volume  0.12737E-02 ppm1      3.962 ppm2      1.849 CV     1
 ASSI {  659}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 43   and name HB% )
      4.100     2.100     1.900 peak   659 spectrum    1 weight  0.11000E+01 volume  0.13087E-02 ppm1      3.962 ppm2      1.106 CV     1
 ASSI {  661}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
      4.300     2.300     1.700 peak   661 spectrum    1 weight  0.11000E+01 volume  0.88859E-03 ppm1      3.959 ppm2      0.733 CV     1
 ASSI {  663}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
      4.300     4.300     1.700 peak   663 spectrum    1 weight  0.11000E+01 volume  0.61853E-03 ppm1      3.967 ppm2      0.228 CV     1
 ASSI {  664}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 46   and name HE  ))
      3.900     1.900     1.900 peak   664 spectrum    1 weight  0.11000E+01 volume  0.49584E-03 ppm1      1.433 ppm2      6.405 CV     1
 ASSI {  666}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 46   and name HH22))
      3.700     1.700     1.700 peak   666 spectrum    1 weight  0.11000E+01 volume  0.73586E-03 ppm1      1.429 ppm2      7.074 CV     1
 ASSI {  667}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 46   and name HH21))
      3.500     1.500     1.500 peak   667 spectrum    1 weight  0.11000E+01 volume  0.12395E-02 ppm1      1.433 ppm2      6.934 CV     1
 ASSI {  668}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 46   and name HH11))
      4.200     2.200     1.800 peak   668 spectrum    1 weight  0.11000E+01 volume  0.30605E-03 ppm1      1.433 ppm2      7.417 CV     1
 ASSI {  669}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 34   and name HN  ))
      5.000     3.100     1.000 peak   669 spectrum    1 weight  0.11000E+01 volume  0.42881E-03 ppm1      1.434 ppm2      8.639 CV     1
 ASSI {  670}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 33   and name HN  ))
      5.000     5.000     1.000 peak   670 spectrum    1 weight  0.11000E+01 volume  0.26904E-03 ppm1      1.433 ppm2      8.059 CV     1
 ASSI {  671}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 45   and name HN  ))
      4.800     2.900     1.200 peak   671 spectrum    1 weight  0.11000E+01 volume  0.32805E-03 ppm1      1.357 ppm2      7.227 CV     1
 ASSI {  674}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 23   and name HD% )
      2.900     2.900     3.100 peak   674 spectrum    1 weight  0.11000E+01 volume  0.23855E-02 ppm1      0.826 ppm2      7.202 CV     1
 ASSI {  675}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 23   and name HE% )
      3.500     1.500     1.500 peak   675 spectrum    1 weight  0.11000E+01 volume  0.71571E-03 ppm1      0.830 ppm2      6.914 CV     1
 ASSI {  676}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      5.500     5.500     0.500 peak   676 spectrum    1 weight  0.11000E+01 volume  0.32294E-03 ppm1      0.893 ppm2      8.060 CV     1
 ASSI {  677}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 36   and name HN  ))
      4.900     2.900     1.100 peak   677 spectrum    1 weight  0.11000E+01 volume  0.24553E-03 ppm1      1.101 ppm2      7.687 CV     1
 ASSI {  678}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
      4.400     2.400     1.600 peak   678 spectrum    1 weight  0.11000E+01 volume  0.48907E-03 ppm1      1.098 ppm2      7.465 CV     1
 ASSI {  679}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 45   and name HN  ))
      4.900     3.000     1.100 peak   679 spectrum    1 weight  0.11000E+01 volume  0.30055E-03 ppm1      1.099 ppm2      7.226 CV     1
 ASSI {  680}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 39   and name HN  ))
      4.000     2.000     2.000 peak   680 spectrum    1 weight  0.11000E+01 volume  0.10982E-03 ppm1      1.098 ppm2      6.853 CV     1
 ASSI {  681}
   (  segid "    " and resid 32   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
      4.100     2.100     1.900 peak   681 spectrum    1 weight  0.11000E+01 volume  0.92584E-03 ppm1      1.326 ppm2      7.467 CV     1
 ASSI {  682}
   (  segid "    " and resid 32   and name HB% )
   (( segid "    " and resid 47   and name HN  ))
      3.000     3.000     3.000 peak   682 spectrum    1 weight  0.11000E+01 volume  0.39265E-02 ppm1      1.332 ppm2      8.358 CV     1
 ASSI {  683}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 18   and name HN  ))
      5.500     3.800     0.500 peak   683 spectrum    1 weight  0.11000E+01 volume  0.13194E-03 ppm1      2.116 ppm2      8.753 CV     1
 ASSI {  684}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 23   and name HN  ))
      5.100     5.100     0.900 peak   684 spectrum    1 weight  0.11000E+01 volume  0.26354E-03 ppm1      2.113 ppm2      7.874 CV     1
 ASSI {  687}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 46   and name HH11))
      3.000     1.100     1.100 peak   687 spectrum    1 weight  0.11000E+01 volume  0.20675E-02 ppm1      0.944 ppm2      7.441 CV     1
 ASSI {  691}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 16   and name HN  ))
      4.200     2.200     1.800 peak   691 spectrum    1 weight  0.11000E+01 volume  0.60586E-03 ppm1      0.796 ppm2      7.878 CV     1
 ASSI {  692}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     6.000     0.000 peak   692 spectrum    1 weight  0.11000E+01 volume  0.44363E-04 ppm1      0.797 ppm2      8.063 CV     1
 ASSI {  693}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 29   and name HD21))
      4.100     2.100     1.900 peak   693 spectrum    1 weight  0.11000E+01 volume  0.49056E-03 ppm1      0.796 ppm2      7.382 CV     1
 ASSI {  694}
   (  segid "    " and resid 15   and name HD2%)
   (  segid "    " and resid 11   and name HD% )
      4.600     2.700     1.400 peak   694 spectrum    1 weight  0.11000E+01 volume  0.38232E-03 ppm1      0.797 ppm2      7.010 CV     1
 ASSI {  695}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 29   and name HD22))
      5.700     4.000     0.300 peak   695 spectrum    1 weight  0.11000E+01 volume  0.39350E-03 ppm1      0.797 ppm2      6.612 CV     1
 ASSI {  696}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 29   and name HN  ))
      6.000     5.700     0.000 peak   696 spectrum    1 weight  0.11000E+01 volume  0.23601E-04 ppm1      0.243 ppm2      8.615 CV     1
 ASSI {  697}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      5.400     5.400     0.600 peak   697 spectrum    1 weight  0.11000E+01 volume  0.67575E-04 ppm1      0.241 ppm2      8.050 CV     1
 ASSI {  699}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 29   and name HD21))
      4.200     4.200     1.800 peak   699 spectrum    1 weight  0.11000E+01 volume  0.82451E-04 ppm1      0.242 ppm2      7.425 CV     1
 ASSI {  700}
   (  segid "    " and resid 47   and name HD2%)
   (  segid "    " and resid 23   and name HD% )
      3.000     3.000     3.000 peak   700 spectrum    1 weight  0.11000E+01 volume  0.18582E-02 ppm1      0.241 ppm2      7.216 CV     1
 ASSI {  701}
   (  segid "    " and resid 15   and name HD1%)
   (  segid "    " and resid 11   and name HD% )
      3.800     1.800     1.800 peak   701 spectrum    1 weight  0.11000E+01 volume  0.23578E-02 ppm1      0.899 ppm2      7.016 CV     1
 ASSI {  703}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 16   and name HN  ))
      4.500     2.500     1.500 peak   703 spectrum    1 weight  0.11000E+01 volume  0.62205E-03 ppm1      0.901 ppm2      7.872 CV     1
 ASSI {  704}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 20   and name HN  ))
      5.900     5.900     0.100 peak   704 spectrum    1 weight  0.11000E+01 volume  0.17784E-03 ppm1      0.498 ppm2      8.310 CV     1
 ASSI {  705}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 19   and name HN  ))
      4.000     4.000     2.000 peak   705 spectrum    1 weight  0.11000E+01 volume  0.14590E-02 ppm1      0.498 ppm2      7.909 CV     1
 ASSI {  706}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 23   and name HD% )
      4.100     2.100     1.900 peak   706 spectrum    1 weight  0.11000E+01 volume  0.27485E-03 ppm1      0.492 ppm2      7.293 CV     1
 ASSI {  711}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 11   and name HD% )
      3.300     1.400     1.400 peak   711 spectrum    1 weight  0.11000E+01 volume  0.91100E-03 ppm1      0.518 ppm2      7.013 CV     1
 ASSI {  715}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      3.900     1.900     1.900 peak   715 spectrum    1 weight  0.11000E+01 volume  0.97417E-03 ppm1      0.201 ppm2      2.082 CV     1
 ASSI {  717}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 33   and name HD2%)
      2.200     2.200     3.800 peak   717 spectrum    1 weight  0.11000E+01 volume  0.67336E-02 ppm1      0.200 ppm2      0.513 CV     1
 ASSI {  718}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB1 ))
      3.200     1.300     1.300 peak   718 spectrum    1 weight  0.11000E+01 volume  0.36748E-02 ppm1      0.200 ppm2      0.035 CV     1
 ASSI {  719}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      5.200     3.300     0.800 peak   719 spectrum    1 weight  0.11000E+01 volume  0.74704E-04 ppm1      0.496 ppm2      3.829 CV     1
 ASSI {  720}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 23   and name HB2 ))
      4.800     2.900     1.200 peak   720 spectrum    1 weight  0.11000E+01 volume  0.25786E-03 ppm1      0.499 ppm2      3.488 CV     1
 ASSI {  721}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 29   and name HB2 ))
      4.500     2.500     1.500 peak   721 spectrum    1 weight  0.11000E+01 volume  0.81387E-03 ppm1      0.498 ppm2      2.960 CV     1
 ASSI {  722}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 23   and name HB1 ))
      3.700     1.700     1.700 peak   722 spectrum    1 weight  0.11000E+01 volume  0.69952E-03 ppm1      0.499 ppm2      2.744 CV     1
 ASSI {  723}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 21   and name HB2 ))
      5.500     5.500     0.500 peak   723 spectrum    1 weight  0.11000E+01 volume  0.22260E-03 ppm1      0.499 ppm2      2.513 CV     1
 ASSI {  724}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 29   and name HB1 ))
      2.800     1.000     1.000 peak   724 spectrum    1 weight  0.11000E+01 volume  0.71755E-03 ppm1      0.500 ppm2      2.299 CV     1
 ASSI {  725}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 21   and name HE% )
      4.600     4.600     1.400 peak   725 spectrum    1 weight  0.11000E+01 volume  0.68964E-03 ppm1      0.500 ppm2      2.125 CV     1
 ASSI {  726}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 33   and name HG  ))
      3.700     3.700     2.300 peak   726 spectrum    1 weight  0.11000E+01 volume  0.11856E-02 ppm1      0.499 ppm2      1.327 CV     1
 ASSI {  727}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 33   and name HD1%)
      2.600     2.600     3.400 peak   727 spectrum    1 weight  0.11000E+01 volume  0.27638E-02 ppm1      0.497 ppm2      0.256 CV     1
 ASSI {  728}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 29   and name HA  ))
      4.100     2.100     1.900 peak   728 spectrum    1 weight  0.11000E+01 volume  0.10375E-02 ppm1      0.795 ppm2      4.072 CV     1
 ASSI {  729}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 11   and name HB2 ))
      5.400     3.700     0.600 peak   729 spectrum    1 weight  0.11000E+01 volume  0.22741E-03 ppm1      0.795 ppm2      3.414 CV     1
 ASSI {  730}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 26   and name HD1 ))
      4.800     2.900     1.200 peak   730 spectrum    1 weight  0.11000E+01 volume  0.32848E-03 ppm1      0.793 ppm2      3.170 CV     1
 ASSI {  731}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 29   and name HB2 ))
      3.000     1.100     1.100 peak   731 spectrum    1 weight  0.11000E+01 volume  0.13814E-02 ppm1      0.795 ppm2      2.940 CV     1
 ASSI {  732}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 11   and name HB1 ))
      3.500     1.500     1.500 peak   732 spectrum    1 weight  0.11000E+01 volume  0.38494E-03 ppm1      0.794 ppm2      2.721 CV     1
 ASSI {  733}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 12   and name HG2 ))
      3.800     3.800     2.200 peak   733 spectrum    1 weight  0.11000E+01 volume  0.15701E-03 ppm1      0.795 ppm2      2.449 CV     1
 ASSI {  734}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 29   and name HB1 ))
      2.100     0.600     0.600 peak   734 spectrum    1 weight  0.11000E+01 volume  0.26906E-02 ppm1      0.793 ppm2      2.264 CV     1
 ASSI {  735}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HB2 ))
      2.800     1.000     1.000 peak   735 spectrum    1 weight  0.11000E+01 volume  0.46752E-02 ppm1      0.795 ppm2      1.973 CV     1
 ASSI {  736}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HG  ))
      2.000     0.500     0.500 peak   736 spectrum    1 weight  0.11000E+01 volume  0.81906E-02 ppm1      0.795 ppm2      1.650 CV     1
 ASSI {  737}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HB1 ))
      2.200     0.600     0.600 peak   737 spectrum    1 weight  0.11000E+01 volume  0.77252E-02 ppm1      0.797 ppm2      1.498 CV     1
 ASSI {  738}
   (  segid "    " and resid 15   and name HD2%)
   (  segid "    " and resid 33   and name HD2%)
      2.300     2.300     3.700 peak   738 spectrum    1 weight  0.11000E+01 volume  0.81518E-02 ppm1      0.796 ppm2      0.510 CV     1
 ASSI {  739}
   (  segid "    " and resid 15   and name HD2%)
   (  segid "    " and resid 33   and name HD1%)
      3.100     1.200     1.200 peak   739 spectrum    1 weight  0.11000E+01 volume  0.65077E-03 ppm1      0.796 ppm2      0.204 CV     1
 ASSI {  740}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 11   and name HB1 ))
      4.500     2.600     1.500 peak   740 spectrum    1 weight  0.11000E+01 volume  0.36138E-03 ppm1      0.938 ppm2      2.722 CV     1
 ASSI {  741}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 27   and name HG1 ))
      2.300     2.300     3.700 peak   741 spectrum    1 weight  0.11000E+01 volume  0.26803E-02 ppm1      0.935 ppm2      2.221 CV     1
 ASSI {  742}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      2.500     2.500     3.500 peak   742 spectrum    1 weight  0.11000E+01 volume  0.56690E-02 ppm1      0.935 ppm2      1.884 CV     1
 ASSI {  743}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 30   and name HG  ))
      2.000     2.000     4.000 peak   743 spectrum    1 weight  0.11000E+01 volume  0.13037E-01 ppm1      0.935 ppm2      1.639 CV     1
 ASSI {  744}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 23   and name HB2 ))
      3.300     1.400     1.400 peak   744 spectrum    1 weight  0.11000E+01 volume  0.34318E-03 ppm1      0.240 ppm2      3.464 CV     1
 ASSI {  745}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 18   and name HB2 ))
      2.800     2.800     3.200 peak   745 spectrum    1 weight  0.11000E+01 volume  0.90748E-03 ppm1      0.242 ppm2      1.849 CV     1
 ASSI {  746}
   (  segid "    " and resid 47   and name HD2%)
   (  segid "    " and resid 47   and name HD1%)
      2.300     2.300     3.700 peak   746 spectrum    1 weight  0.11000E+01 volume  0.70808E-02 ppm1      0.241 ppm2      0.731 CV     1
 ASSI {  747}
   (  segid "    " and resid 47   and name HD2%)
   (  segid "    " and resid 18   and name HD2%)
      2.300     2.300     3.700 peak   747 spectrum    1 weight  0.11000E+01 volume  0.30917E-02 ppm1      0.242 ppm2      0.507 CV     1
 ASSI {  748}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 11   and name HB2 ))
      5.300     3.500     0.700 peak   748 spectrum    1 weight  0.11000E+01 volume  0.18167E-03 ppm1      0.895 ppm2      3.421 CV     1
 ASSI {  749}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 26   and name HD2 ))
      4.600     2.600     1.400 peak   749 spectrum    1 weight  0.11000E+01 volume  0.18576E-03 ppm1      0.898 ppm2      3.171 CV     1
 ASSI {  750}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 29   and name HB2 ))
      4.200     2.200     1.800 peak   750 spectrum    1 weight  0.11000E+01 volume  0.16558E-03 ppm1      0.882 ppm2      2.958 CV     1
 ASSI {  751}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
      3.100     1.200     1.200 peak   751 spectrum    1 weight  0.11000E+01 volume  0.18164E-02 ppm1      0.897 ppm2      2.726 CV     1
 ASSI {  754}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HG  ))
      1.900     1.900     4.100 peak   754 spectrum    1 weight  0.11000E+01 volume  0.12476E-01 ppm1      0.916 ppm2      1.620 CV     1
 ASSI {  758}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 18   and name HA  ))
      2.600     2.600     3.400 peak   758 spectrum    1 weight  0.11000E+01 volume  0.17050E-02 ppm1      0.495 ppm2      4.101 CV     1
 ASSI {  759}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
      3.600     3.600     2.400 peak   759 spectrum    1 weight  0.11000E+01 volume  0.25566E-02 ppm1      0.503 ppm2      3.847 CV     1
 ASSI {  762}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 29   and name HB2 ))
      5.100     5.100     0.900 peak   762 spectrum    1 weight  0.11000E+01 volume  0.80012E-03 ppm1      0.500 ppm2      2.938 CV     1
 ASSI {  764}
   (  segid "    " and resid 18   and name HD2%)
   (  segid "    " and resid 21   and name HE% )
      3.300     3.300     2.700 peak   764 spectrum    1 weight  0.11000E+01 volume  0.11465E-02 ppm1      0.512 ppm2      2.086 CV     1
 ASSI {  766}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 10   and name HD1 ))
      2.900     1.100     1.100 peak   766 spectrum    1 weight  0.11000E+01 volume  0.20310E-02 ppm1      0.906 ppm2      2.651 CV     1
 ASSI {  768}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HD1 ))
      2.700     0.900     0.900 peak   768 spectrum    1 weight  0.11000E+01 volume  0.29889E-02 ppm1      1.170 ppm2      2.651 CV     1
 ASSI {  770}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
      3.300     3.300     2.700 peak   770 spectrum    1 weight  0.11000E+01 volume  0.63287E-03 ppm1      0.724 ppm2      2.956 CV     1
 ASSI {  771}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 29   and name HB1 ))
      3.500     3.500     2.500 peak   771 spectrum    1 weight  0.11000E+01 volume  0.23255E-03 ppm1      0.727 ppm2      2.278 CV     1
 ASSI {  772}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 18   and name HB2 ))
      2.700     2.700     3.300 peak   772 spectrum    1 weight  0.11000E+01 volume  0.12101E-02 ppm1      0.723 ppm2      1.863 CV     1
 ASSI {  773}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 47   and name HB2 ))
      2.100     2.100     3.900 peak   773 spectrum    1 weight  0.11000E+01 volume  0.91533E-02 ppm1      0.724 ppm2      1.507 CV     1
 ASSI {  776}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      2.900     2.900     3.100 peak   776 spectrum    1 weight  0.11000E+01 volume  0.71372E-03 ppm1      0.982 ppm2      3.877 CV     1
 ASSI {  777}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 21   and name HB1 ))
      3.400     3.400     2.600 peak   777 spectrum    1 weight  0.11000E+01 volume  0.30556E-03 ppm1      0.984 ppm2      2.367 CV     1
 ASSI {  778}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 48   and name HG  ))
      2.300     0.600     0.600 peak   778 spectrum    1 weight  0.11000E+01 volume  0.91208E-02 ppm1      0.983 ppm2      1.881 CV     1
 ASSI {  779}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 48   and name HB1 ))
      3.100     1.200     1.200 peak   779 spectrum    1 weight  0.11000E+01 volume  0.31633E-02 ppm1      0.982 ppm2      1.506 CV     1
 ASSI {  780}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 44   and name HA  ))
      5.200     3.400     0.800 peak   780 spectrum    1 weight  0.11000E+01 volume  0.21983E-04 ppm1      0.983 ppm2      2.986 CV     1
 ASSI {  785}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 46   and name HD2 ))
      2.500     0.800     0.800 peak   785 spectrum    1 weight  0.11000E+01 volume  0.26662E-02 ppm1      0.945 ppm2      2.897 CV     1
 ASSI {  786}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 39   and name HB1 ))
      4.600     2.600     1.400 peak   786 spectrum    1 weight  0.11000E+01 volume  0.41719E-03 ppm1      0.943 ppm2      2.589 CV     1
 ASSI {  787}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 46   and name HB2 ))
      3.500     1.600     1.600 peak   787 spectrum    1 weight  0.11000E+01 volume  0.17999E-02 ppm1      0.945 ppm2      1.850 CV     1
 ASSI {  788}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 46   and name HG2 ))
      3.900     1.900     1.900 peak   788 spectrum    1 weight  0.11000E+01 volume  0.14559E-02 ppm1      0.945 ppm2      1.654 CV     1
 ASSI {  789}
   (  segid "    " and resid 36   and name HG2%)
   (  segid "    " and resid 42   and name HB% )
      2.200     0.600     0.600 peak   789 spectrum    1 weight  0.11000E+01 volume  0.10178E-01 ppm1      0.940 ppm2      1.411 CV     1
 ASSI {  790}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 9    and name HB  ))
      2.300     0.700     0.700 peak   790 spectrum    1 weight  0.11000E+01 volume  0.74069E-02 ppm1      0.856 ppm2      2.069 CV     1
 ASSI {  791}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 13   and name HG1 ))
      3.800     3.800     2.200 peak   791 spectrum    1 weight  0.11000E+01 volume  0.78758E-03 ppm1      0.857 ppm2      2.393 CV     1
 ASSI {  792}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 22   and name HA2 ))
      4.100     4.100     1.900 peak   792 spectrum    1 weight  0.11000E+01 volume  0.57646E-03 ppm1      0.787 ppm2      4.076 CV     1
 ASSI {  793}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.800     0.000 peak   793 spectrum    1 weight  0.11000E+01 volume  0.61005E-04 ppm1      0.789 ppm2      2.737 CV     1
 ASSI {  795}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HG11))
      2.800     2.800     3.200 peak   795 spectrum    1 weight  0.11000E+01 volume  0.25152E-02 ppm1      0.787 ppm2      1.142 CV     1
 ASSI {  797}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 34   and name HB  ))
      2.300     0.600     0.600 peak   797 spectrum    1 weight  0.11000E+01 volume  0.83975E-02 ppm1      0.892 ppm2      1.766 CV     1
 ASSI {  798}
   (  segid "    " and resid 34   and name HG2%)
   (  segid "    " and resid 35   and name HB% )
      3.800     1.800     1.800 peak   798 spectrum    1 weight  0.11000E+01 volume  0.11201E-02 ppm1      0.891 ppm2      1.434 CV     1
 ASSI {  799}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   799 spectrum    1 weight  0.11000E+01 volume  0.66128E-03 ppm1      3.417 ppm2      8.200 CV     1
 ASSI {  800}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      3.800     1.800     1.800 peak   800 spectrum    1 weight  0.11000E+01 volume  0.12803E-02 ppm1      2.724 ppm2      8.186 CV     1
 ASSI {  801}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HD22))
      3.600     1.600     1.600 peak   801 spectrum    1 weight  0.11000E+01 volume  0.35611E-02 ppm1      2.668 ppm2      6.958 CV     1
 ASSI {  802}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD% )
      2.900     1.000     1.000 peak   802 spectrum    1 weight  0.11000E+01 volume  0.17592E-02 ppm1      3.409 ppm2      7.016 CV     1
 ASSI {  803}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      5.100     3.300     0.900 peak   803 spectrum    1 weight  0.11000E+01 volume  0.17097E-03 ppm1      3.415 ppm2      3.907 CV     1
 ASSI {  804}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 14   and name HB2 ))
      5.500     3.800     0.500 peak   804 spectrum    1 weight  0.11000E+01 volume  0.19231E-03 ppm1      3.416 ppm2      2.080 CV     1
 ASSI {  805}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      4.200     2.200     1.800 peak   805 spectrum    1 weight  0.11000E+01 volume  0.58034E-03 ppm1      3.417 ppm2      1.629 CV     1
 ASSI {  806}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HD1%)
      4.500     2.500     1.500 peak   806 spectrum    1 weight  0.11000E+01 volume  0.97810E-03 ppm1      3.414 ppm2      0.908 CV     1
 ASSI {  807}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      4.500     2.500     1.500 peak   807 spectrum    1 weight  0.11000E+01 volume  0.92692E-03 ppm1      3.405 ppm2      0.527 CV     1
 ASSI {  808}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      5.300     3.500     0.700 peak   808 spectrum    1 weight  0.11000E+01 volume  0.15005E-03 ppm1      2.719 ppm2      2.094 CV     1
 ASSI {  809}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 14   and name HB1 ))
      5.900     4.400     0.100 peak   809 spectrum    1 weight  0.11000E+01 volume  0.13048E-03 ppm1      2.736 ppm2      1.633 CV     1
 ASSI {  810}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 30   and name HD1%)
      4.400     2.400     1.600 peak   810 spectrum    1 weight  0.11000E+01 volume  0.94910E-03 ppm1      2.731 ppm2      0.911 CV     1
 ASSI {  811}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      5.000     3.100     1.000 peak   811 spectrum    1 weight  0.11000E+01 volume  0.13809E-03 ppm1      2.719 ppm2      0.529 CV     1
 ASSI {  812}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   812 spectrum    1 weight  0.11000E+01 volume  0.88692E-03 ppm1      2.720 ppm2      3.396 CV     1
 ASSI {  813}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     6.000     0.000 peak   813 spectrum    1 weight  0.11000E+01 volume  0.41912E-04 ppm1      2.878 ppm2      7.648 CV     1
 ASSI {  814}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     6.000     0.000 peak   814 spectrum    1 weight  0.11000E+01 volume  0.39518E-04 ppm1      2.732 ppm2      7.645 CV     1
 ASSI {  818}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 11   and name HD% )
      3.400     1.500     1.500 peak   818 spectrum    1 weight  0.11000E+01 volume  0.10531E-02 ppm1      1.504 ppm2      7.019 CV     1
 ASSI {  819}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 11   and name HD% )
      3.200     1.300     1.300 peak   819 spectrum    1 weight  0.11000E+01 volume  0.68906E-03 ppm1      0.042 ppm2      7.012 CV     1
 ASSI {  820}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 29   and name HD22))
      5.200     5.200     0.800 peak   820 spectrum    1 weight  0.11000E+01 volume  0.23955E-04 ppm1      0.238 ppm2      6.605 CV     1
 ASSI {  821}
   (( segid "    " and resid 38   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.500     1.500     1.500 peak   821 spectrum    1 weight  0.11000E+01 volume  0.16742E-02 ppm1      2.450 ppm2      8.921 CV     1
 ASSI {  823}
   (( segid "    " and resid 38   and name HA1 ))
   (( segid "    " and resid 14   and name HE21))
      4.600     2.700     1.400 peak   823 spectrum    1 weight  0.11000E+01 volume  0.31062E-03 ppm1      2.451 ppm2      7.986 CV     1
 ASSI {  825}
   (( segid "    " and resid 38   and name HA1 ))
   (( segid "    " and resid 14   and name HE22))
      4.700     4.700     1.300 peak   825 spectrum    1 weight  0.11000E+01 volume  0.28401E-03 ppm1      2.447 ppm2      7.359 CV     1
 ASSI {  826}
   (( segid "    " and resid 38   and name HA1 ))
   (  segid "    " and resid 11   and name HD% )
      3.500     3.500     2.500 peak   826 spectrum    1 weight  0.11000E+01 volume  0.18325E-02 ppm1      2.459 ppm2      7.019 CV     1
 ASSI {  829}
   (( segid "    " and resid 38   and name HA1 ))
   (( segid "    " and resid 38   and name HA2 ))
      2.100     0.600     0.600 peak   829 spectrum    1 weight  0.11000E+01 volume  0.51261E-02 ppm1      2.453 ppm2      3.973 CV     1
 ASSI {  831}
   (( segid "    " and resid 38   and name HA1 ))
   (( segid "    " and resid 40   and name HG12))
      6.000     6.000     0.000 peak   831 spectrum    1 weight  0.11000E+01 volume  0.19367E-03 ppm1      2.449 ppm2      1.355 CV     1
 ASSI {  833}
   (( segid "    " and resid 38   and name HA1 ))
   (  segid "    " and resid 40   and name HG2%)
      6.000     6.000     0.000 peak   833 spectrum    1 weight  0.11000E+01 volume  0.28628E-04 ppm1      2.452 ppm2      0.812 CV     1
 ASSI {  834}
   (( segid "    " and resid 38   and name HA1 ))
   (  segid "    " and resid 33   and name HD2%)
      5.600     5.600     0.400 peak   834 spectrum    1 weight  0.11000E+01 volume  0.32377E-03 ppm1      2.453 ppm2      0.520 CV     1
 ASSI {  835}
   (( segid "    " and resid 38   and name HA1 ))
   (  segid "    " and resid 33   and name HD1%)
      4.800     2.800     1.200 peak   835 spectrum    1 weight  0.11000E+01 volume  0.17829E-02 ppm1      2.452 ppm2      0.208 CV     1
 ASSI {  837}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
      3.400     1.500     1.500 peak   837 spectrum    1 weight  0.11000E+01 volume  0.71016E-03 ppm1      4.607 ppm2      6.851 CV     1
 ASSI {  838}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 36   and name HN  ))
      4.100     2.100     1.900 peak   838 spectrum    1 weight  0.11000E+01 volume  0.36304E-03 ppm1      4.605 ppm2      7.689 CV     1
 ASSI {  840}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 42   and name HN  ))
      5.700     4.100     0.300 peak   840 spectrum    1 weight  0.11000E+01 volume  0.11539E-03 ppm1      4.605 ppm2      8.076 CV     1
 ASSI {  841}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 36   and name HG1 ))
      2.700     0.900     0.900 peak   841 spectrum    1 weight  0.11000E+01 volume  0.14676E-02 ppm1      4.605 ppm2      3.831 CV     1
 ASSI {  842}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.700     0.000 peak   842 spectrum    1 weight  0.11000E+01 volume  0.78267E-04 ppm1      4.609 ppm2      3.606 CV     1
 ASSI {  843}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.900     3.900     2.100 peak   843 spectrum    1 weight  0.11000E+01 volume  0.11290E-02 ppm1      4.605 ppm2      2.812 CV     1
 ASSI {  844}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.400     0.700     0.700 peak   844 spectrum    1 weight  0.11000E+01 volume  0.10591E-02 ppm1      4.610 ppm2      2.599 CV     1
 ASSI {  845}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.300     3.300     2.700 peak   845 spectrum    1 weight  0.11000E+01 volume  0.81207E-03 ppm1      3.595 ppm2      7.621 CV     1
 ASSI {  846}
   (  segid "    " and resid 18   and name HD2%)
   (( segid "    " and resid 29   and name HD22))
      5.800     5.800     0.200 peak   846 spectrum    1 weight  0.11000E+01 volume  0.15243E-03 ppm1      0.499 ppm2      6.610 CV     1
 ASSI {  847}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 26   and name HE  ))
      5.100     5.100     0.900 peak   847 spectrum    1 weight  0.11000E+01 volume  0.26454E-04 ppm1      0.935 ppm2      6.605 CV     1
 ASSI {  849}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
      2.900     2.900     3.100 peak   849 spectrum    1 weight  0.11000E+01 volume  0.16948E-02 ppm1      0.796 ppm2      8.744 CV     1
 ASSI {  850}
   (( segid "    " and resid 34   and name HG11))
   (  segid "    " and resid 11   and name HD% )
      3.300     1.400     1.400 peak   850 spectrum    1 weight  0.11000E+01 volume  0.19466E-02 ppm1      1.048 ppm2      7.020 CV     1
 ASSI {  851}
   (( segid "    " and resid 34   and name HG11))
   (( segid "    " and resid 35   and name HN  ))
      5.100     3.300     0.900 peak   851 spectrum    1 weight  0.11000E+01 volume  0.23970E-03 ppm1      1.032 ppm2      7.704 CV     1
 ASSI {  853}
   (( segid "    " and resid 34   and name HG12))
   (  segid "    " and resid 11   and name HD% )
      3.500     1.500     1.500 peak   853 spectrum    1 weight  0.11000E+01 volume  0.14003E-02 ppm1      1.870 ppm2      7.006 CV     1
 ASSI {  856}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
      4.800     4.800     1.200 peak   856 spectrum    1 weight  0.11000E+01 volume  0.19057E-03 ppm1      0.787 ppm2      4.596 CV     1
 ASSI {  857}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      5.100     3.300     0.900 peak   857 spectrum    1 weight  0.11000E+01 volume  0.40376E-03 ppm1      0.787 ppm2      9.065 CV     1
 ASSI {  858}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.900     1.100     1.100 peak   858 spectrum    1 weight  0.11000E+01 volume  0.17636E-02 ppm1      3.592 ppm2      1.493 CV     1
 ASSI {  859}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 43   and name HB% )
      3.300     1.300     1.300 peak   859 spectrum    1 weight  0.11000E+01 volume  0.10934E-02 ppm1      3.587 ppm2      1.095 CV     1
 ASSI {  860}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 36   and name HG2%)
      4.100     2.100     1.900 peak   860 spectrum    1 weight  0.11000E+01 volume  0.68437E-03 ppm1      3.585 ppm2      0.942 CV     1
 ASSI {  862}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
      2.700     0.900     0.900 peak   862 spectrum    1 weight  0.11000E+01 volume  0.16072E-02 ppm1      3.588 ppm2      3.836 CV     1
 ASSI {  863}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      3.800     1.900     1.900 peak   863 spectrum    1 weight  0.11000E+01 volume  0.59657E-03 ppm1      3.591 ppm2      4.004 CV     1
 ASSI {  864}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 38   and name HA1 ))
      5.200     3.300     0.800 peak   864 spectrum    1 weight  0.11000E+01 volume  0.46247E-03 ppm1      3.593 ppm2      2.460 CV     1
 ASSI {  865}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
      2.300     0.600     0.600 peak   865 spectrum    1 weight  0.11000E+01 volume  0.43375E-02 ppm1      1.501 ppm2      0.213 CV     1
 ASSI {  867}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      2.600     0.800     0.800 peak   867 spectrum    1 weight  0.11000E+01 volume  0.14399E-02 ppm1      0.040 ppm2      0.520 CV     1
 ASSI {  868}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     6.000     0.000 peak   868 spectrum    1 weight  0.11000E+01 volume  0.40118E-04 ppm1      0.041 ppm2      0.947 CV     1
 ASSI {  869}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 43   and name HB% )
      5.500     3.700     0.500 peak   869 spectrum    1 weight  0.11000E+01 volume  0.22015E-03 ppm1      0.040 ppm2      1.089 CV     1
 ASSI {  870}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HG  ))
      2.900     1.000     1.000 peak   870 spectrum    1 weight  0.11000E+01 volume  0.16401E-02 ppm1      0.038 ppm2      1.349 CV     1
 ASSI {  872}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 38   and name HA1 ))
      5.500     3.800     0.500 peak   872 spectrum    1 weight  0.11000E+01 volume  0.26566E-03 ppm1      0.045 ppm2      2.460 CV     1
 ASSI {  874}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      5.000     3.100     1.000 peak   874 spectrum    1 weight  0.11000E+01 volume  0.36506E-03 ppm1      0.036 ppm2      3.861 CV     1
 ASSI {  876}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 29   and name HB2 ))
      5.300     3.600     0.700 peak   876 spectrum    1 weight  0.11000E+01 volume  0.46030E-03 ppm1      1.501 ppm2      2.954 CV     1
 ASSI {  877}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 38   and name HA1 ))
      6.000     4.800     0.000 peak   877 spectrum    1 weight  0.11000E+01 volume  0.31990E-03 ppm1      1.491 ppm2      2.480 CV     1
 ASSI {  881}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
      1.900     0.500     0.500 peak   881 spectrum    1 weight  0.11000E+01 volume  0.35137E-02 ppm1      1.486 ppm2      0.044 CV     1
 ASSI {  883}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 34   and name HN  ))
      5.000     3.100     1.000 peak   883 spectrum    1 weight  0.11000E+01 volume  0.27757E-03 ppm1      1.326 ppm2      8.645 CV     1
 ASSI {  885}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG2 ))
      2.600     2.600     3.400 peak   885 spectrum    1 weight  0.11000E+01 volume  0.38240E-02 ppm1      1.338 ppm2      1.162 CV     1
 ASSI {  892}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 43   and name HB% )
      4.300     2.300     1.700 peak   892 spectrum    1 weight  0.11000E+01 volume  0.77157E-03 ppm1      0.514 ppm2      1.111 CV     1
 ASSI {  893}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   893 spectrum    1 weight  0.11000E+01 volume  0.19857E-02 ppm1      0.514 ppm2      2.085 CV     1
 ASSI {  894}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 14   and name HG1 ))
      4.800     2.900     1.200 peak   894 spectrum    1 weight  0.11000E+01 volume  0.36272E-03 ppm1      0.514 ppm2      2.479 CV     1
 ASSI {  897}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
      3.600     1.600     1.600 peak   897 spectrum    1 weight  0.11000E+01 volume  0.14597E-02 ppm1      0.517 ppm2      3.589 CV     1
 ASSI {  903}
   (( segid "    " and resid 18   and name HG  ))
   (( segid "    " and resid 20   and name HN  ))
      4.400     2.500     1.600 peak   903 spectrum    1 weight  0.11000E+01 volume  0.52880E-03 ppm1      1.737 ppm2      8.297 CV     1
 ASSI {  905}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 23   and name HD% )
      6.000     6.000     0.000 peak   905 spectrum    1 weight  0.11000E+01 volume  0.75358E-04 ppm1      1.720 ppm2      7.233 CV     1
 ASSI {  908}
   (( segid "    " and resid 18   and name HG  ))
   (  segid "    " and resid 33   and name HD1%)
      4.400     2.400     1.600 peak   908 spectrum    1 weight  0.11000E+01 volume  0.17942E-03 ppm1      1.746 ppm2      0.227 CV     1
 ASSI {  909}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     5.300     0.000 peak   909 spectrum    1 weight  0.11000E+01 volume  0.56063E-04 ppm1      1.981 ppm2      9.288 CV     1
 ASSI {  911}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     6.000     0.000 peak   911 spectrum    1 weight  0.11000E+01 volume  0.29191E-04 ppm1      1.983 ppm2      8.298 CV     1
 ASSI {  914}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.000     1.100     1.100 peak   914 spectrum    1 weight  0.11000E+01 volume  0.11233E-02 ppm1      1.872 ppm2      4.129 CV     1
 ASSI {  915}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   915 spectrum    1 weight  0.11000E+01 volume  0.23314E-02 ppm1      1.872 ppm2      7.904 CV     1
 ASSI {  916}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 23   and name HD% )
      6.000     4.700     0.000 peak   916 spectrum    1 weight  0.11000E+01 volume  0.27253E-03 ppm1      1.871 ppm2      7.257 CV     1
 ASSI {  917}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 29   and name HD22))
      4.900     3.000     1.100 peak   917 spectrum    1 weight  0.11000E+01 volume  0.95118E-04 ppm1      1.871 ppm2      6.639 CV     1
 ASSI {  918}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 29   and name HD22))
      4.000     2.000     2.000 peak   918 spectrum    1 weight  0.11000E+01 volume  0.28829E-03 ppm1      1.486 ppm2      6.611 CV     1
 ASSI {  919}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 23   and name HD% )
      4.400     2.400     1.600 peak   919 spectrum    1 weight  0.11000E+01 volume  0.59806E-03 ppm1      1.490 ppm2      7.233 CV     1
 ASSI {  920}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      3.400     1.500     1.500 peak   920 spectrum    1 weight  0.11000E+01 volume  0.17367E-02 ppm1      1.476 ppm2      7.885 CV     1
 ASSI {  921}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      3.200     1.300     1.300 peak   921 spectrum    1 weight  0.11000E+01 volume  0.33821E-02 ppm1      1.481 ppm2      8.747 CV     1
 ASSI {  922}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   922 spectrum    1 weight  0.11000E+01 volume  0.13309E-02 ppm1      1.872 ppm2      8.750 CV     1
 ASSI {  923}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   923 spectrum    1 weight  0.11000E+01 volume  0.90987E-03 ppm1      1.473 ppm2      4.122 CV     1
 ASSI {  924}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 23   and name HB2 ))
      5.600     3.900     0.400 peak   924 spectrum    1 weight  0.11000E+01 volume  0.21173E-03 ppm1      1.870 ppm2      3.459 CV     1
 ASSI {  925}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.800     0.800 peak   925 spectrum    1 weight  0.11000E+01 volume  0.22240E-02 ppm1      1.871 ppm2      3.855 CV     1
 ASSI {  926}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 23   and name HB2 ))
      3.100     1.200     1.200 peak   926 spectrum    1 weight  0.11000E+01 volume  0.33233E-03 ppm1      1.481 ppm2      3.457 CV     1
 ASSI {  927}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.300     1.300     1.300 peak   927 spectrum    1 weight  0.11000E+01 volume  0.47347E-02 ppm1      1.481 ppm2      3.856 CV     1
 ASSI {  928}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
      6.000     6.000     0.000 peak   928 spectrum    1 weight  0.11000E+01 volume  0.85364E-04 ppm1      1.860 ppm2      2.907 CV     1
 ASSI {  929}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 23   and name HB1 ))
      4.900     3.000     1.100 peak   929 spectrum    1 weight  0.11000E+01 volume  0.49435E-03 ppm1      1.871 ppm2      2.737 CV     1
 ASSI {  930}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      3.900     1.900     1.900 peak   930 spectrum    1 weight  0.11000E+01 volume  0.25557E-03 ppm1      1.860 ppm2      2.261 CV     1
 ASSI {  931}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HB1 ))
      1.800     0.400     0.400 peak   931 spectrum    1 weight  0.11000E+01 volume  0.57705E-02 ppm1      1.874 ppm2      1.497 CV     1
 ASSI {  932}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 15   and name HD1%)
      3.000     3.000     3.000 peak   932 spectrum    1 weight  0.11000E+01 volume  0.62669E-02 ppm1      1.877 ppm2      0.897 CV     1
 ASSI {  933}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
      3.100     1.200     1.200 peak   933 spectrum    1 weight  0.11000E+01 volume  0.33673E-02 ppm1      1.871 ppm2      0.500 CV     1
 ASSI {  934}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 18   and name HD2%)
      2.300     0.600     0.600 peak   934 spectrum    1 weight  0.11000E+01 volume  0.48619E-02 ppm1      1.488 ppm2      0.502 CV     1
 ASSI {  935}
   (( segid "    " and resid 15   and name HB1 ))
   (  segid "    " and resid 15   and name HD1%)
      2.100     0.600     0.600 peak   935 spectrum    1 weight  0.11000E+01 volume  0.70511E-02 ppm1      1.485 ppm2      0.865 CV     1
 ASSI {  937}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 29   and name HB2 ))
      5.200     3.400     0.800 peak   937 spectrum    1 weight  0.11000E+01 volume  0.70330E-04 ppm1      1.486 ppm2      2.945 CV     1
 ASSI {  939}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak   939 spectrum    1 weight  0.11000E+01 volume  0.47784E-03 ppm1      4.139 ppm2      7.646 CV     1
 ASSI {  940}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 23   and name HD% )
      3.700     1.700     1.700 peak   940 spectrum    1 weight  0.11000E+01 volume  0.12127E-02 ppm1      4.138 ppm2      7.240 CV     1
 ASSI {  941}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.300     1.300 peak   941 spectrum    1 weight  0.11000E+01 volume  0.15884E-02 ppm1      4.128 ppm2      8.301 CV     1
 ASSI {  942}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 44   and name HD1%)
      4.400     2.400     1.600 peak   942 spectrum    1 weight  0.11000E+01 volume  0.93287E-03 ppm1      4.138 ppm2      0.797 CV     1
 ASSI {  944}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG  ))
      2.700     0.900     0.900 peak   944 spectrum    1 weight  0.11000E+01 volume  0.16557E-02 ppm1      4.138 ppm2      1.739 CV     1
 ASSI {  946}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      4.000     2.000     2.000 peak   946 spectrum    1 weight  0.11000E+01 volume  0.19002E-02 ppm1      4.137 ppm2      2.311 CV     1
 ASSI {  947}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   947 spectrum    1 weight  0.11000E+01 volume  0.11777E-02 ppm1      4.133 ppm2      2.505 CV     1
 ASSI {  948}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      4.100     2.100     1.900 peak   948 spectrum    1 weight  0.11000E+01 volume  0.11010E-02 ppm1      4.137 ppm2      2.859 CV     1
 ASSI {  949}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
      6.000     6.000     0.000 peak   949 spectrum    1 weight  0.11000E+01 volume  0.19136E-04 ppm1      4.615 ppm2      0.506 CV     1
 ASSI {  950}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     6.000     0.000 peak   950 spectrum    1 weight  0.11000E+01 volume  0.48718E-04 ppm1      3.469 ppm2      8.750 CV     1
 ASSI {  951}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     6.000     0.000 peak   951 spectrum    1 weight  0.11000E+01 volume  0.54106E-04 ppm1      2.736 ppm2      8.750 CV     1
 ASSI {  953}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      4.300     2.300     1.700 peak   953 spectrum    1 weight  0.11000E+01 volume  0.21117E-03 ppm1      3.457 ppm2      4.111 CV     1
 ASSI {  954}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
      5.400     3.600     0.600 peak   954 spectrum    1 weight  0.11000E+01 volume  0.26557E-03 ppm1      2.741 ppm2      4.122 CV     1
 ASSI {  958}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 23   and name HD% )
      3.600     3.600     2.400 peak   958 spectrum    1 weight  0.11000E+01 volume  0.83606E-03 ppm1      1.186 ppm2      7.211 CV     1
 ASSI {  959}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 23   and name HZ  ))
      3.500     1.500     1.500 peak   959 spectrum    1 weight  0.11000E+01 volume  0.10871E-02 ppm1      1.511 ppm2      7.149 CV     1
 ASSI {  964}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 46   and name HB2 ))
      4.800     2.900     1.200 peak   964 spectrum    1 weight  0.11000E+01 volume  0.50941E-03 ppm1      1.184 ppm2      1.857 CV     1
 ASSI {  965}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      1.700     0.400     0.500 peak   965 spectrum    1 weight  0.11000E+01 volume  0.13190E-01 ppm1      1.187 ppm2      1.514 CV     1
 ASSI {  966}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 47   and name HD1%)
      3.000     3.000     3.000 peak   966 spectrum    1 weight  0.11000E+01 volume  0.19214E-02 ppm1      1.185 ppm2      0.725 CV     1
 ASSI {  970}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 23   and name HZ  ))
      5.000     3.200     1.000 peak   970 spectrum    1 weight  0.11000E+01 volume  0.26701E-03 ppm1      3.934 ppm2      7.147 CV     1
 ASSI {  971}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 44   and name HA  ))
      6.000     5.100     0.000 peak   971 spectrum    1 weight  0.11000E+01 volume  0.10123E-03 ppm1      3.950 ppm2      2.986 CV     1
 ASSI {  972}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 46   and name HN  ))
      4.900     3.000     1.100 peak   972 spectrum    1 weight  0.11000E+01 volume  0.35556E-03 ppm1      1.355 ppm2      7.462 CV     1
 ASSI {  973}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 23   and name HD% )
      5.200     3.300     0.800 peak   973 spectrum    1 weight  0.11000E+01 volume  0.25758E-03 ppm1      1.347 ppm2      7.206 CV     1
 ASSI {  976}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 47   and name HD1%)
      2.500     0.800     0.800 peak   976 spectrum    1 weight  0.11000E+01 volume  0.37887E-02 ppm1      1.352 ppm2      0.731 CV     1
 ASSI {  980}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      4.300     4.300     1.700 peak   980 spectrum    1 weight  0.11000E+01 volume  0.41764E-03 ppm1      4.417 ppm2      8.648 CV     1
 ASSI {  981}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HH21))
      4.700     4.700     1.300 peak   981 spectrum    1 weight  0.11000E+01 volume  0.15935E-03 ppm1      4.415 ppm2      7.008 CV     1
 ASSI {  983}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HE  ))
      5.900     4.400     0.100 peak   983 spectrum    1 weight  0.11000E+01 volume  0.46513E-04 ppm1      4.412 ppm2      6.599 CV     1
 ASSI {  984}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      5.700     4.000     0.300 peak   984 spectrum    1 weight  0.11000E+01 volume  0.10691E-03 ppm1      4.420 ppm2      3.489 CV     1
 ASSI {  985}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.800     4.200     0.200 peak   985 spectrum    1 weight  0.11000E+01 volume  0.43501E-04 ppm1      4.417 ppm2      2.911 CV     1
 ASSI {  986}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      5.700     4.100     0.300 peak   986 spectrum    1 weight  0.11000E+01 volume  0.14785E-03 ppm1      4.414 ppm2      2.729 CV     1
 ASSI {  987}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      6.000     6.000     0.000 peak   987 spectrum    1 weight  0.11000E+01 volume  0.24456E-04 ppm1      4.417 ppm2      1.902 CV     1
 ASSI {  988}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak   988 spectrum    1 weight  0.11000E+01 volume  0.12004E-02 ppm1      2.201 ppm2      7.760 CV     1
 ASSI {  990}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HG12))
      2.600     0.800     0.800 peak   990 spectrum    1 weight  0.11000E+01 volume  0.44197E-02 ppm1      2.203 ppm2      1.153 CV     1
 ASSI {  991}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      2.200     0.600     0.600 peak   991 spectrum    1 weight  0.11000E+01 volume  0.11021E-01 ppm1      2.204 ppm2      0.801 CV     1
 ASSI {  995}
   (( segid "    " and resid 24   and name HG11))
   (( segid "    " and resid 25   and name HN  ))
      6.000     6.000     0.000 peak   995 spectrum    1 weight  0.11000E+01 volume  0.90721E-04 ppm1      1.092 ppm2      9.065 CV     1
 ASSI {  996}
   (( segid "    " and resid 24   and name HG12))
   (( segid "    " and resid 24   and name HA  ))
      4.800     4.800     1.200 peak   996 spectrum    1 weight  0.11000E+01 volume  0.20266E-03 ppm1      1.174 ppm2      4.401 CV     1
 ASSI {  998}
   (( segid "    " and resid 24   and name HG11))
   (( segid "    " and resid 24   and name HB  ))
      3.700     1.800     1.800 peak   998 spectrum    1 weight  0.11000E+01 volume  0.36492E-03 ppm1      1.095 ppm2      2.207 CV     1
 ASSI { 1001}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 47   and name HD1%)
      5.600     3.900     0.400 peak  1001 spectrum    1 weight  0.11000E+01 volume  0.11039E-03 ppm1      2.599 ppm2      0.750 CV     1
 ASSI { 1002}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
      6.000     4.900     0.000 peak  1002 spectrum    1 weight  0.11000E+01 volume  0.59517E-04 ppm1      3.336 ppm2      0.760 CV     1
 ASSI { 1003}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     6.000     0.000 peak  1003 spectrum    1 weight  0.11000E+01 volume  0.21003E-04 ppm1      2.583 ppm2      3.973 CV     1
 ASSI { 1004}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     6.000     0.000 peak  1004 spectrum    1 weight  0.11000E+01 volume  0.84855E-04 ppm1      3.332 ppm2      3.971 CV     1
 ASSI { 1005}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HD21))
      3.900     1.900     1.900 peak  1005 spectrum    1 weight  0.11000E+01 volume  0.30989E-03 ppm1      4.787 ppm2      7.773 CV     1
 ASSI { 1006}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HD22))
      4.500     2.600     1.500 peak  1006 spectrum    1 weight  0.11000E+01 volume  0.45990E-03 ppm1      4.787 ppm2      7.041 CV     1
 ASSI { 1008}
   (( segid "    " and resid 22   and name HA1 ))
   (  segid "    " and resid 23   and name HD% )
      5.400     5.400     0.600 peak  1008 spectrum    1 weight  0.11000E+01 volume  0.72324E-04 ppm1      3.440 ppm2      7.206 CV     1
 ASSI { 1009}
   (( segid "    " and resid 22   and name HA1 ))
   (( segid "    " and resid 21   and name HA  ))
      4.500     2.500     1.500 peak  1009 spectrum    1 weight  0.11000E+01 volume  0.28736E-03 ppm1      3.445 ppm2      4.361 CV     1
 ASSI { 1011}
   (( segid "    " and resid 22   and name HA2 ))
   (( segid "    " and resid 21   and name HA  ))
      4.700     2.800     1.300 peak  1011 spectrum    1 weight  0.11000E+01 volume  0.33532E-03 ppm1      4.081 ppm2      4.364 CV     1
 ASSI { 1012}
   (( segid "    " and resid 22   and name HA2 ))
   (( segid "    " and resid 22   and name HA1 ))
      2.100     0.500     0.500 peak  1012 spectrum    1 weight  0.11000E+01 volume  0.85058E-02 ppm1      4.069 ppm2      3.448 CV     1
 ASSI { 1013}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.700     1.700     1.700 peak  1013 spectrum    1 weight  0.11000E+01 volume  0.65614E-03 ppm1      3.771 ppm2      8.615 CV     1
 ASSI { 1014}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 29   and name HD21))
      3.200     1.300     1.300 peak  1014 spectrum    1 weight  0.11000E+01 volume  0.10606E-02 ppm1      3.771 ppm2      7.379 CV     1
 ASSI { 1015}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HH11))
      5.800     4.200     0.200 peak  1015 spectrum    1 weight  0.11000E+01 volume  0.12435E-03 ppm1      3.766 ppm2      7.587 CV     1
 ASSI { 1016}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 29   and name HD22))
      3.900     1.900     1.900 peak  1016 spectrum    1 weight  0.11000E+01 volume  0.57118E-03 ppm1      3.772 ppm2      6.613 CV     1
 ASSI { 1017}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HD1 ))
      2.900     1.100     1.100 peak  1017 spectrum    1 weight  0.11000E+01 volume  0.83574E-03 ppm1      3.772 ppm2      3.171 CV     1
 ASSI { 1018}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.700     1.700     1.700 peak  1018 spectrum    1 weight  0.11000E+01 volume  0.16972E-02 ppm1      3.773 ppm2      2.271 CV     1
 ASSI { 1019}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.700     2.800     1.300 peak  1019 spectrum    1 weight  0.11000E+01 volume  0.32846E-03 ppm1      3.773 ppm2      2.088 CV     1
 ASSI { 1020}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 28   and name HB% )
      6.000     6.000     0.000 peak  1020 spectrum    1 weight  0.11000E+01 volume  0.72720E-04 ppm1      3.771 ppm2      1.304 CV     1
 ASSI { 1021}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 15   and name HD2%)
      3.800     1.800     1.800 peak  1021 spectrum    1 weight  0.11000E+01 volume  0.15677E-02 ppm1      3.772 ppm2      0.809 CV     1
 ASSI { 1022}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      5.700     5.700     0.300 peak  1022 spectrum    1 weight  0.11000E+01 volume  0.32386E-03 ppm1      3.770 ppm2      0.489 CV     1
 ASSI { 1023}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.400     0.700     0.700 peak  1023 spectrum    1 weight  0.11000E+01 volume  0.48637E-02 ppm1      3.771 ppm2      1.722 CV     1
 ASSI { 1024}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.800     0.800 peak  1024 spectrum    1 weight  0.11000E+01 volume  0.29404E-02 ppm1      1.849 ppm2      8.328 CV     1
 ASSI { 1025}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak  1025 spectrum    1 weight  0.11000E+01 volume  0.26279E-02 ppm1      1.732 ppm2      8.313 CV     1
 ASSI { 1026}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak  1026 spectrum    1 weight  0.11000E+01 volume  0.20139E-02 ppm1      1.848 ppm2      7.458 CV     1
 ASSI { 1027}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 29   and name HD21))
      4.400     2.400     1.600 peak  1027 spectrum    1 weight  0.11000E+01 volume  0.70272E-03 ppm1      1.740 ppm2      7.416 CV     1
 ASSI { 1030}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HD2 ))
      3.700     1.700     1.700 peak  1030 spectrum    1 weight  0.11000E+01 volume  0.27158E-02 ppm1      1.848 ppm2      3.169 CV     1
 ASSI { 1031}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HD1 ))
      2.400     0.700     0.700 peak  1031 spectrum    1 weight  0.11000E+01 volume  0.27984E-02 ppm1      1.724 ppm2      3.173 CV     1
 ASSI { 1032}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HG2 ))
      3.700     1.700     1.700 peak  1032 spectrum    1 weight  0.11000E+01 volume  0.12393E-02 ppm1      1.879 ppm2      2.269 CV     1
 ASSI { 1033}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 27   and name HG2 ))
      5.500     3.800     0.500 peak  1033 spectrum    1 weight  0.11000E+01 volume  0.11915E-03 ppm1      1.745 ppm2      2.272 CV     1
 ASSI { 1034}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 15   and name HD1%)
      3.500     1.500     1.500 peak  1034 spectrum    1 weight  0.11000E+01 volume  0.12657E-02 ppm1      1.744 ppm2      0.879 CV     1
 ASSI { 1035}
   (( segid "    " and resid 34   and name HG12))
   (  segid "    " and resid 34   and name HD1%)
      2.300     0.600     0.600 peak  1035 spectrum    1 weight  0.11000E+01 volume  0.65010E-02 ppm1      1.869 ppm2      0.856 CV     1
 ASSI { 1036}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.500     1.500 peak  1036 spectrum    1 weight  0.11000E+01 volume  0.51725E-03 ppm1      1.708 ppm2      8.415 CV     1
 ASSI { 1037}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
      4.400     2.400     1.600 peak  1037 spectrum    1 weight  0.11000E+01 volume  0.87114E-03 ppm1      1.552 ppm2      8.424 CV     1
 ASSI { 1039}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 27   and name HN  ))
      4.500     2.500     1.500 peak  1039 spectrum    1 weight  0.11000E+01 volume  0.98887E-03 ppm1      1.558 ppm2      8.326 CV     1
 ASSI { 1041}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HA  ))
      3.200     1.300     1.300 peak  1041 spectrum    1 weight  0.11000E+01 volume  0.97048E-03 ppm1      1.701 ppm2      3.772 CV     1
 ASSI { 1042}
   (( segid "    " and resid 26   and name HG1 ))
   (( segid "    " and resid 26   and name HD1 ))
      2.700     0.900     0.900 peak  1042 spectrum    1 weight  0.11000E+01 volume  0.34157E-02 ppm1      1.562 ppm2      3.168 CV     1
 ASSI { 1046}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 27   and name HN  ))
      5.000     3.100     1.000 peak  1046 spectrum    1 weight  0.11000E+01 volume  0.67377E-03 ppm1      3.185 ppm2      8.325 CV     1
 ASSI { 1047}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 27   and name HN  ))
      4.200     2.200     1.800 peak  1047 spectrum    1 weight  0.11000E+01 volume  0.76846E-03 ppm1      3.153 ppm2      8.320 CV     1
 ASSI { 1048}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.600     0.000 peak  1048 spectrum    1 weight  0.11000E+01 volume  0.20567E-03 ppm1      3.196 ppm2      2.257 CV     1
 ASSI { 1049}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 29   and name HB1 ))
      4.800     2.900     1.200 peak  1049 spectrum    1 weight  0.11000E+01 volume  0.35733E-03 ppm1      3.159 ppm2      2.251 CV     1
 ASSI { 1050}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HG2 ))
      2.300     0.700     0.700 peak  1050 spectrum    1 weight  0.11000E+01 volume  0.10678E-01 ppm1      3.183 ppm2      1.723 CV     1
 ASSI { 1051}
   (( segid "    " and resid 26   and name HD1 ))
   (  segid "    " and resid 15   and name HD1%)
      2.300     0.700     0.700 peak  1051 spectrum    1 weight  0.11000E+01 volume  0.22857E-02 ppm1      3.186 ppm2      0.866 CV     1
 ASSI { 1053}
   (( segid "    " and resid 38   and name HA2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.900     0.900 peak  1053 spectrum    1 weight  0.11000E+01 volume  0.22059E-02 ppm1      3.974 ppm2      8.828 CV     1
 ASSI { 1054}
   (( segid "    " and resid 49   and name HA2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak  1054 spectrum    1 weight  0.11000E+01 volume  0.57488E-02 ppm1      3.992 ppm2      7.997 CV     1
 ASSI { 1056}
   (( segid "    " and resid 38   and name HA2 ))
   (( segid "    " and resid 39   and name HN  ))
      3.000     1.100     1.100 peak  1056 spectrum    1 weight  0.11000E+01 volume  0.28411E-02 ppm1      3.973 ppm2      6.870 CV     1
 ASSI { 1057}
   (( segid "    " and resid 38   and name HA2 ))
   (( segid "    " and resid 33   and name HB1 ))
      3.700     1.700     1.700 peak  1057 spectrum    1 weight  0.11000E+01 volume  0.57601E-03 ppm1      3.964 ppm2      0.045 CV     1
 ASSI { 1058}
   (( segid "    " and resid 49   and name HA1 ))
   (  segid "    " and resid 52   and name HD2%)
      4.000     4.000     2.000 peak  1058 spectrum    1 weight  0.11000E+01 volume  0.82848E-03 ppm1      3.962 ppm2      0.870 CV     1
 ASSI { 1059}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.600     1.600     1.600 peak  1059 spectrum    1 weight  0.11000E+01 volume  0.10370E-02 ppm1      4.524 ppm2      7.932 CV     1
 ASSI { 1061}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HA  ))
      4.500     2.500     1.500 peak  1061 spectrum    1 weight  0.11000E+01 volume  0.55369E-03 ppm1      4.521 ppm2      3.533 CV     1
 ASSI { 1062}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
      4.800     2.900     1.200 peak  1062 spectrum    1 weight  0.11000E+01 volume  0.34798E-03 ppm1      4.520 ppm2      3.828 CV     1
 ASSI { 1063}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 38   and name HA2 ))
      4.800     2.900     1.200 peak  1063 spectrum    1 weight  0.11000E+01 volume  0.18316E-03 ppm1      4.522 ppm2      3.985 CV     1
 ASSI { 1064}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      5.200     3.400     0.800 peak  1064 spectrum    1 weight  0.11000E+01 volume  0.25433E-03 ppm1      2.820 ppm2      8.074 CV     1
 ASSI { 1065}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      4.000     2.000     2.000 peak  1065 spectrum    1 weight  0.11000E+01 volume  0.27160E-03 ppm1      2.595 ppm2      8.077 CV     1
 ASSI { 1066}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      5.100     3.300     0.900 peak  1066 spectrum    1 weight  0.11000E+01 volume  0.45908E-03 ppm1      2.815 ppm2      8.842 CV     1
 ASSI { 1072}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
      5.400     3.700     0.600 peak  1072 spectrum    1 weight  0.11000E+01 volume  0.36762E-03 ppm1      2.808 ppm2      3.821 CV     1
 ASSI { 1073}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 36   and name HG1 ))
      4.800     2.900     1.200 peak  1073 spectrum    1 weight  0.11000E+01 volume  0.25511E-03 ppm1      2.599 ppm2      3.823 CV     1
 ASSI { 1075}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HB1 ))
      1.900     0.400     0.400 peak  1075 spectrum    1 weight  0.11000E+01 volume  0.77874E-02 ppm1      2.805 ppm2      2.591 CV     1
 ASSI { 1077}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 42   and name HB% )
      2.800     2.800     3.200 peak  1077 spectrum    1 weight  0.11000E+01 volume  0.20820E-02 ppm1      2.589 ppm2      1.359 CV     1
 ASSI { 1078}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 36   and name HG2%)
      5.700     4.100     0.300 peak  1078 spectrum    1 weight  0.11000E+01 volume  0.51437E-03 ppm1      2.811 ppm2      0.946 CV     1
 ASSI { 1080}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      3.300     3.300     2.700 peak  1080 spectrum    1 weight  0.11000E+01 volume  0.50129E-03 ppm1      5.390 ppm2      7.022 CV     1
 ASSI { 1082}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      4.800     2.900     1.200 peak  1082 spectrum    1 weight  0.11000E+01 volume  0.10535E-03 ppm1      3.528 ppm2      6.847 CV     1
 ASSI { 1083}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 17   and name HE21))
      6.000     6.000     0.000 peak  1083 spectrum    1 weight  0.11000E+01 volume  0.26721E-04 ppm1      3.523 ppm2      7.242 CV     1
 ASSI { 1084}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.400     1.400     1.400 peak  1084 spectrum    1 weight  0.11000E+01 volume  0.80300E-03 ppm1      3.527 ppm2      7.933 CV     1
 ASSI { 1085}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      5.600     3.900     0.400 peak  1085 spectrum    1 weight  0.11000E+01 volume  0.10038E-03 ppm1      3.532 ppm2      2.651 CV     1
 ASSI { 1086}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     6.000     0.000 peak  1086 spectrum    1 weight  0.11000E+01 volume  0.64671E-04 ppm1      3.532 ppm2      2.499 CV     1
 ASSI { 1090}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
      5.100     3.200     0.900 peak  1090 spectrum    1 weight  0.11000E+01 volume  0.21765E-03 ppm1      1.666 ppm2      6.864 CV     1
 ASSI { 1091}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 14   and name HE22))
      5.400     3.600     0.600 peak  1091 spectrum    1 weight  0.11000E+01 volume  0.29228E-03 ppm1      1.666 ppm2      7.353 CV     1
 ASSI { 1093}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 14   and name HA  ))
      5.000     3.200     1.000 peak  1093 spectrum    1 weight  0.11000E+01 volume  0.48596E-03 ppm1      1.673 ppm2      3.982 CV     1
 ASSI { 1094}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 14   and name HG2 ))
      2.500     0.800     0.800 peak  1094 spectrum    1 weight  0.11000E+01 volume  0.12768E-02 ppm1      1.675 ppm2      2.661 CV     1
 ASSI { 1095}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 14   and name HG1 ))
      3.300     1.300     1.300 peak  1095 spectrum    1 weight  0.11000E+01 volume  0.14862E-02 ppm1      1.672 ppm2      2.507 CV     1
 ASSI { 1096}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.800     2.900     1.200 peak  1096 spectrum    1 weight  0.11000E+01 volume  0.59955E-03 ppm1      1.673 ppm2      2.090 CV     1
 ASSI { 1097}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 40   and name HG12))
      2.900     1.100     1.100 peak  1097 spectrum    1 weight  0.11000E+01 volume  0.20035E-02 ppm1      1.672 ppm2      1.322 CV     1
 ASSI { 1098}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 40   and name HG11))
      2.400     0.700     0.700 peak  1098 spectrum    1 weight  0.11000E+01 volume  0.20784E-02 ppm1      1.671 ppm2      1.151 CV     1
 ASSI { 1099}
   (( segid "    " and resid 40   and name HB  ))
   (  segid "    " and resid 18   and name HD1%)
      4.700     4.700     1.300 peak  1099 spectrum    1 weight  0.11000E+01 volume  0.59720E-03 ppm1      1.672 ppm2      0.499 CV     1
 ASSI { 1100}
   (( segid "    " and resid 40   and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
      3.800     1.800     1.800 peak  1100 spectrum    1 weight  0.11000E+01 volume  0.16141E-02 ppm1      1.671 ppm2      0.213 CV     1
 ASSI { 1101}
   (( segid "    " and resid 40   and name HG12))
   (( segid "    " and resid 40   and name HN  ))
      4.800     2.900     1.200 peak  1101 spectrum    1 weight  0.11000E+01 volume  0.42079E-03 ppm1      1.314 ppm2      8.949 CV     1
 ASSI { 1104}
   (( segid "    " and resid 40   and name HG11))
   (( segid "    " and resid 18   and name HN  ))
      4.400     2.400     1.600 peak  1104 spectrum    1 weight  0.11000E+01 volume  0.39154E-03 ppm1      1.159 ppm2      8.827 CV     1
 ASSI { 1105}
   (( segid "    " and resid 40   and name HG12))
   (( segid "    " and resid 44   and name HN  ))
      4.300     2.300     1.700 peak  1105 spectrum    1 weight  0.11000E+01 volume  0.28578E-03 ppm1      1.309 ppm2      8.272 CV     1
 ASSI { 1106}
   (( segid "    " and resid 40   and name HG11))
   (( segid "    " and resid 44   and name HN  ))
      5.500     3.700     0.500 peak  1106 spectrum    1 weight  0.11000E+01 volume  0.23084E-03 ppm1      1.166 ppm2      8.274 CV     1
 ASSI { 1107}
   (( segid "    " and resid 40   and name HG11))
   (( segid "    " and resid 41   and name HN  ))
      5.200     3.300     0.800 peak  1107 spectrum    1 weight  0.11000E+01 volume  0.31984E-03 ppm1      1.161 ppm2      7.931 CV     1
 ASSI { 1108}
   (( segid "    " and resid 40   and name HG12))
   (( segid "    " and resid 41   and name HN  ))
      4.600     2.600     1.400 peak  1108 spectrum    1 weight  0.11000E+01 volume  0.41235E-03 ppm1      1.317 ppm2      7.929 CV     1
 ASSI { 1109}
   (( segid "    " and resid 40   and name HG12))
   (( segid "    " and resid 14   and name HA  ))
      5.100     3.200     0.900 peak  1109 spectrum    1 weight  0.11000E+01 volume  0.45994E-03 ppm1      1.308 ppm2      3.986 CV     1
 ASSI { 1110}
   (( segid "    " and resid 40   and name HG11))
   (( segid "    " and resid 14   and name HA  ))
      4.700     2.800     1.300 peak  1110 spectrum    1 weight  0.11000E+01 volume  0.15970E-03 ppm1      1.163 ppm2      3.994 CV     1
 ASSI { 1111}
   (( segid "    " and resid 40   and name HG11))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.400     1.400 peak  1111 spectrum    1 weight  0.11000E+01 volume  0.12837E-02 ppm1      1.164 ppm2      3.531 CV     1
 ASSI { 1112}
   (( segid "    " and resid 40   and name HG11))
   (( segid "    " and resid 14   and name HG2 ))
      3.800     1.800     1.800 peak  1112 spectrum    1 weight  0.11000E+01 volume  0.16427E-03 ppm1      1.165 ppm2      2.666 CV     1
 ASSI { 1113}
   (( segid "    " and resid 40   and name HG11))
   (( segid "    " and resid 14   and name HG1 ))
      4.000     2.000     2.000 peak  1113 spectrum    1 weight  0.11000E+01 volume  0.30162E-03 ppm1      1.162 ppm2      2.499 CV     1
 ASSI { 1114}
   (( segid "    " and resid 40   and name HG12))
   (( segid "    " and resid 14   and name HG1 ))
      5.200     3.400     0.800 peak  1114 spectrum    1 weight  0.11000E+01 volume  0.39489E-03 ppm1      1.305 ppm2      2.497 CV     1
 ASSI { 1115}
   (( segid "    " and resid 40   and name HG12))
   (( segid "    " and resid 14   and name HG2 ))
      4.200     2.200     1.800 peak  1115 spectrum    1 weight  0.11000E+01 volume  0.63098E-03 ppm1      1.305 ppm2      2.652 CV     1
 ASSI { 1116}
   (( segid "    " and resid 40   and name HG11))
   (( segid "    " and resid 14   and name HB2 ))
      4.500     2.500     1.500 peak  1116 spectrum    1 weight  0.11000E+01 volume  0.52000E-03 ppm1      1.154 ppm2      2.099 CV     1
 ASSI { 1117}
   (( segid "    " and resid 40   and name HG12))
   (( segid "    " and resid 14   and name HB2 ))
      5.300     3.500     0.700 peak  1117 spectrum    1 weight  0.11000E+01 volume  0.58900E-03 ppm1      1.305 ppm2      2.110 CV     1
 ASSI { 1120}
   (( segid "    " and resid 40   and name HG12))
   (  segid "    " and resid 40   and name HD1%)
      2.100     0.600     0.600 peak  1120 spectrum    1 weight  0.11000E+01 volume  0.65312E-02 ppm1      1.318 ppm2      0.803 CV     1
 ASSI { 1121}
   (( segid "    " and resid 40   and name HG11))
   (  segid "    " and resid 40   and name HD1%)
      2.000     0.500     0.500 peak  1121 spectrum    1 weight  0.11000E+01 volume  0.78352E-02 ppm1      1.172 ppm2      0.800 CV     1
 ASSI { 1123}
   (( segid "    " and resid 40   and name HG12))
   (( segid "    " and resid 40   and name HG11))
      1.600     0.300     0.600 peak  1123 spectrum    1 weight  0.11000E+01 volume  0.11959E-01 ppm1      1.317 ppm2      1.163 CV     1
 ASSI { 1124}
   (( segid "    " and resid 40   and name HG11))
   (  segid "    " and resid 18   and name HD1%)
      3.500     1.500     1.500 peak  1124 spectrum    1 weight  0.11000E+01 volume  0.14388E-02 ppm1      1.163 ppm2      0.499 CV     1
 ASSI { 1125}
   (( segid "    " and resid 40   and name HG11))
   (  segid "    " and resid 33   and name HD1%)
      3.300     1.400     1.400 peak  1125 spectrum    1 weight  0.11000E+01 volume  0.83822E-03 ppm1      1.158 ppm2      0.219 CV     1
 ASSI { 1126}
   (( segid "    " and resid 40   and name HG12))
   (  segid "    " and resid 33   and name HD1%)
      3.200     1.300     1.300 peak  1126 spectrum    1 weight  0.11000E+01 volume  0.76576E-03 ppm1      1.312 ppm2      0.215 CV     1
 ASSI { 1127}
   (( segid "    " and resid 40   and name HG12))
   (  segid "    " and resid 18   and name HD1%)
      3.000     3.000     3.000 peak  1127 spectrum    1 weight  0.11000E+01 volume  0.14147E-02 ppm1      1.311 ppm2      0.493 CV     1
 ASSI { 1130}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     5.800     0.000 peak  1130 spectrum    1 weight  0.11000E+01 volume  0.50210E-04 ppm1      2.655 ppm2      8.759 CV     1
 ASSI { 1132}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.300     1.300     1.300 peak  1132 spectrum    1 weight  0.11000E+01 volume  0.70385E-03 ppm1      2.669 ppm2      2.087 CV     1
 ASSI { 1133}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HB1 ))
      2.600     0.800     0.800 peak  1133 spectrum    1 weight  0.11000E+01 volume  0.13975E-02 ppm1      2.658 ppm2      1.639 CV     1
 ASSI { 1135}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 40   and name HD1%)
      4.000     2.000     2.000 peak  1135 spectrum    1 weight  0.11000E+01 volume  0.73618E-03 ppm1      2.656 ppm2      0.809 CV     1
 ASSI { 1136}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 33   and name HD2%)
      5.000     3.100     1.000 peak  1136 spectrum    1 weight  0.11000E+01 volume  0.40867E-04 ppm1      2.666 ppm2      0.519 CV     1
 ASSI { 1137}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 33   and name HD1%)
      4.300     2.300     1.700 peak  1137 spectrum    1 weight  0.11000E+01 volume  0.62029E-03 ppm1      2.656 ppm2      0.202 CV     1
 ASSI { 1138}
   (( segid "    " and resid 14   and name HG1 ))
   (  segid "    " and resid 33   and name HD1%)
      4.400     2.500     1.600 peak  1138 spectrum    1 weight  0.11000E+01 volume  0.99108E-03 ppm1      2.505 ppm2      0.209 CV     1
 ASSI { 1140}
   (( segid "    " and resid 14   and name HG1 ))
   (  segid "    " and resid 40   and name HD1%)
      3.100     1.200     1.200 peak  1140 spectrum    1 weight  0.11000E+01 volume  0.29995E-02 ppm1      2.484 ppm2      0.807 CV     1
 ASSI { 1142}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HB1 ))
      2.800     1.000     1.000 peak  1142 spectrum    1 weight  0.11000E+01 volume  0.19886E-02 ppm1      2.499 ppm2      1.637 CV     1
 ASSI { 1145}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      4.400     2.500     1.600 peak  1145 spectrum    1 weight  0.11000E+01 volume  0.19212E-03 ppm1      1.606 ppm2      8.745 CV     1
 ASSI { 1152}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      3.300     1.400     1.400 peak  1152 spectrum    1 weight  0.11000E+01 volume  0.41877E-03 ppm1      1.616 ppm2      0.521 CV     1
 ASSI { 1153}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 33   and name HD1%)
      3.000     1.100     1.100 peak  1153 spectrum    1 weight  0.11000E+01 volume  0.76368E-03 ppm1      1.617 ppm2      0.205 CV     1
 ASSI { 1154}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      2.000     0.500     0.500 peak  1154 spectrum    1 weight  0.11000E+01 volume  0.25492E-02 ppm1      2.082 ppm2      1.623 CV     1
 ASSI { 1157}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HE21))
      3.600     1.700     1.700 peak  1157 spectrum    1 weight  0.11000E+01 volume  0.15610E-03 ppm1      3.975 ppm2      7.339 CV     1
 ASSI { 1158}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      5.700     4.100     0.300 peak  1158 spectrum    1 weight  0.11000E+01 volume  0.50747E-04 ppm1      3.975 ppm2      7.846 CV     1
 ASSI { 1159}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.500     1.500 peak  1159 spectrum    1 weight  0.11000E+01 volume  0.62728E-03 ppm1      3.974 ppm2      8.749 CV     1
 ASSI { 1160}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     6.000     0.000 peak  1160 spectrum    1 weight  0.11000E+01 volume  0.23703E-04 ppm1      3.975 ppm2      9.035 CV     1
 ASSI { 1162}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.600     1.700     1.700 peak  1162 spectrum    1 weight  0.11000E+01 volume  0.13253E-02 ppm1      3.959 ppm2      2.677 CV     1
 ASSI { 1163}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.100     1.200     1.200 peak  1163 spectrum    1 weight  0.11000E+01 volume  0.12417E-02 ppm1      3.967 ppm2      2.144 CV     1
 ASSI { 1164}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.000     1.100     1.100 peak  1164 spectrum    1 weight  0.11000E+01 volume  0.90482E-03 ppm1      3.967 ppm2      1.638 CV     1
 ASSI { 1166}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      4.800     2.900     1.200 peak  1166 spectrum    1 weight  0.11000E+01 volume  0.47581E-03 ppm1      3.969 ppm2      0.510 CV     1
 ASSI { 1167}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      5.000     3.100     1.000 peak  1167 spectrum    1 weight  0.11000E+01 volume  0.30131E-03 ppm1      3.970 ppm2      0.210 CV     1
 ASSI { 1168}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      6.000     6.000     0.000 peak  1168 spectrum    1 weight  0.11000E+01 volume  0.14065E-03 ppm1      0.802 ppm2      8.973 CV     1
 ASSI { 1170}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      3.500     1.500     1.500 peak  1170 spectrum    1 weight  0.11000E+01 volume  0.93706E-03 ppm1      0.833 ppm2      4.315 CV     1
 ASSI { 1172}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 39   and name HB2 ))
      5.000     5.000     1.000 peak  1172 spectrum    1 weight  0.11000E+01 volume  0.43882E-03 ppm1      0.834 ppm2      2.830 CV     1
 ASSI { 1173}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 14   and name HG2 ))
      4.400     2.400     1.600 peak  1173 spectrum    1 weight  0.11000E+01 volume  0.58011E-03 ppm1      0.833 ppm2      2.660 CV     1
 ASSI { 1174}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  1174 spectrum    1 weight  0.11000E+01 volume  0.83367E-04 ppm1      0.834 ppm2      2.499 CV     1
 ASSI { 1175}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
      3.000     3.000     3.000 peak  1175 spectrum    1 weight  0.11000E+01 volume  0.55842E-03 ppm1      0.837 ppm2      2.121 CV     1
 ASSI { 1176}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HB  ))
      2.100     0.600     0.600 peak  1176 spectrum    1 weight  0.11000E+01 volume  0.76625E-02 ppm1      0.830 ppm2      1.673 CV     1
 ASSI { 1177}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HG12))
      6.000     6.000     0.000 peak  1177 spectrum    1 weight  0.11000E+01 volume  0.40662E-05 ppm1      0.832 ppm2      1.338 CV     1
 ASSI { 1178}
   (  segid "    " and resid 40   and name HG2%)
   (  segid "    " and resid 18   and name HD1%)
      4.800     4.800     1.200 peak  1178 spectrum    1 weight  0.11000E+01 volume  0.74479E-03 ppm1      0.836 ppm2      0.498 CV     1
 ASSI { 1179}
   (  segid "    " and resid 40   and name HG2%)
   (  segid "    " and resid 33   and name HD1%)
      4.300     4.300     1.700 peak  1179 spectrum    1 weight  0.11000E+01 volume  0.10186E-02 ppm1      0.831 ppm2      0.216 CV     1
 ASSI { 1181}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.400     1.400 peak  1181 spectrum    1 weight  0.11000E+01 volume  0.13546E-02 ppm1      4.316 ppm2      8.102 CV     1
 ASSI { 1184}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 40   and name HA  ))
      4.700     2.700     1.300 peak  1184 spectrum    1 weight  0.11000E+01 volume  0.17744E-03 ppm1      4.315 ppm2      3.533 CV     1
 ASSI { 1185}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 40   and name HG12))
      5.500     5.500     0.500 peak  1185 spectrum    1 weight  0.11000E+01 volume  0.10278E-03 ppm1      4.316 ppm2      1.354 CV     1
 ASSI { 1186}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HG11))
      4.100     2.100     1.900 peak  1186 spectrum    1 weight  0.11000E+01 volume  0.27337E-03 ppm1      4.313 ppm2      0.283 CV     1
 ASSI { 1187}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.500     0.800     0.800 peak  1187 spectrum    1 weight  0.11000E+01 volume  0.94297E-02 ppm1      4.315 ppm2      2.826 CV     1
 ASSI { 1188}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.500     0.800     0.800 peak  1188 spectrum    1 weight  0.11000E+01 volume  0.54233E-02 ppm1      2.822 ppm2      7.931 CV     1
 ASSI { 1189}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      2.900     1.000     1.000 peak  1189 spectrum    1 weight  0.11000E+01 volume  0.60870E-02 ppm1      2.671 ppm2      7.930 CV     1
 ASSI { 1195}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 42   and name HB% )
      4.800     2.800     1.200 peak  1195 spectrum    1 weight  0.11000E+01 volume  0.25856E-03 ppm1      2.827 ppm2      1.362 CV     1
 ASSI { 1199}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
      5.500     3.700     0.500 peak  1199 spectrum    1 weight  0.11000E+01 volume  0.13975E-03 ppm1      3.623 ppm2      0.764 CV     1
 ASSI { 1200}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 40   and name HN  ))
      5.700     4.100     0.300 peak  1200 spectrum    1 weight  0.11000E+01 volume  0.14296E-03 ppm1      1.098 ppm2      8.925 CV     1
 ASSI { 1201}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 38   and name HN  ))
      3.800     3.800     2.200 peak  1201 spectrum    1 weight  0.11000E+01 volume  0.15729E-03 ppm1      1.094 ppm2      8.822 CV     1
 ASSI { 1203}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
      4.200     2.200     1.800 peak  1203 spectrum    1 weight  0.11000E+01 volume  0.33798E-03 ppm1      1.096 ppm2      2.954 CV     1
 ASSI { 1204}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 46   and name HB1 ))
      5.400     5.400     0.600 peak  1204 spectrum    1 weight  0.11000E+01 volume  0.50107E-03 ppm1      1.097 ppm2      1.841 CV     1
 ASSI { 1205}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 40   and name HB  ))
      4.100     2.100     1.900 peak  1205 spectrum    1 weight  0.11000E+01 volume  0.13003E-02 ppm1      1.098 ppm2      1.680 CV     1
 ASSI { 1206}
   (  segid "    " and resid 43   and name HB% )
   (( segid "    " and resid 33   and name HB2 ))
      4.000     2.000     2.000 peak  1206 spectrum    1 weight  0.11000E+01 volume  0.67233E-03 ppm1      1.097 ppm2      1.540 CV     1
 ASSI { 1207}
   (( segid "    " and resid 24   and name HG11))
   (  segid "    " and resid 24   and name HG2%)
      4.600     4.600     1.400 peak  1207 spectrum    1 weight  0.11000E+01 volume  0.15862E-03 ppm1      1.095 ppm2      0.767 CV     1
 ASSI { 1211}
   (  segid "    " and resid 43   and name HB% )
   (  segid "    " and resid 32   and name HB% )
      2.100     0.600     0.600 peak  1211 spectrum    1 weight  0.11000E+01 volume  0.10303E-01 ppm1      1.098 ppm2      1.330 CV     1
 ASSI { 1212}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 36   and name HA  ))
      5.700     4.000     0.300 peak  1212 spectrum    1 weight  0.11000E+01 volume  0.73325E-04 ppm1      1.433 ppm2      4.514 CV     1
 ASSI { 1213}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 33   and name HA  ))
      4.500     4.500     1.500 peak  1213 spectrum    1 weight  0.11000E+01 volume  0.40113E-03 ppm1      1.433 ppm2      3.592 CV     1
 ASSI { 1214}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak  1214 spectrum    1 weight  0.11000E+01 volume  0.33111E-02 ppm1      1.433 ppm2      3.962 CV     1
 ASSI { 1215}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 46   and name HD1 ))
      2.900     1.100     1.100 peak  1215 spectrum    1 weight  0.11000E+01 volume  0.21859E-02 ppm1      1.433 ppm2      3.088 CV     1
 ASSI { 1216}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 46   and name HD2 ))
      3.200     1.200     1.200 peak  1216 spectrum    1 weight  0.11000E+01 volume  0.13345E-02 ppm1      1.433 ppm2      2.913 CV     1
 ASSI { 1218}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 31   and name HE22))
      5.500     3.800     0.500 peak  1218 spectrum    1 weight  0.11000E+01 volume  0.19419E-03 ppm1      3.987 ppm2      6.890 CV     1
 ASSI { 1219}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      4.400     2.400     1.600 peak  1219 spectrum    1 weight  0.11000E+01 volume  0.23148E-03 ppm1      3.954 ppm2      8.624 CV     1
 ASSI { 1222}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      4.700     2.700     1.300 peak  1222 spectrum    1 weight  0.11000E+01 volume  0.20280E-03 ppm1      4.125 ppm2      3.594 CV     1
 ASSI { 1223}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 46   and name HD1 ))
      6.000     5.700     0.000 peak  1223 spectrum    1 weight  0.11000E+01 volume  0.89120E-04 ppm1      4.125 ppm2      3.083 CV     1
 ASSI { 1224}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      5.200     5.200     0.800 peak  1224 spectrum    1 weight  0.11000E+01 volume  0.16874E-03 ppm1      4.122 ppm2      2.637 CV     1
 ASSI { 1226}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      4.500     4.500     1.500 peak  1226 spectrum    1 weight  0.11000E+01 volume  0.46756E-03 ppm1      4.503 ppm2      6.833 CV     1
 ASSI { 1227}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 46   and name HH12))
      3.300     3.300     2.700 peak  1227 spectrum    1 weight  0.11000E+01 volume  0.19891E-02 ppm1      4.503 ppm2      7.562 CV     1
 ASSI { 1228}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      5.100     3.200     0.900 peak  1228 spectrum    1 weight  0.11000E+01 volume  0.44498E-03 ppm1      4.508 ppm2      2.580 CV     1
 ASSI { 1229}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      4.700     2.800     1.300 peak  1229 spectrum    1 weight  0.11000E+01 volume  0.83033E-03 ppm1      4.505 ppm2      2.818 CV     1
 ASSI { 1230}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      4.800     4.800     1.200 peak  1230 spectrum    1 weight  0.11000E+01 volume  0.43561E-03 ppm1      4.507 ppm2      3.592 CV     1
 ASSI { 1231}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
      3.500     1.500     1.500 peak  1231 spectrum    1 weight  0.11000E+01 volume  0.16880E-02 ppm1      4.508 ppm2      3.828 CV     1
 ASSI { 1232}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 35   and name HA  ))
      3.800     1.800     1.800 peak  1232 spectrum    1 weight  0.11000E+01 volume  0.68617E-03 ppm1      4.517 ppm2      4.170 CV     1
 ASSI { 1236}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 46   and name HE  ))
      6.000     4.500     0.000 peak  1236 spectrum    1 weight  0.11000E+01 volume  0.43745E-04 ppm1      0.941 ppm2      6.398 CV     1
 ASSI { 1237}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      4.200     2.200     1.800 peak  1237 spectrum    1 weight  0.11000E+01 volume  0.10389E-02 ppm1      0.946 ppm2      4.130 CV     1
 ASSI { 1238}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.500     1.500 peak  1238 spectrum    1 weight  0.11000E+01 volume  0.15942E-02 ppm1      0.945 ppm2      4.011 CV     1
 ASSI { 1239}
   (  segid "    " and resid 36   and name HG2%)
   (  segid "    " and resid 33   and name HD1%)
      5.600     5.600     0.400 peak  1239 spectrum    1 weight  0.11000E+01 volume  0.16698E-03 ppm1      0.945 ppm2      0.209 CV     1
 ASSI { 1242}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 40   and name HN  ))
      6.000     6.000     0.000 peak  1242 spectrum    1 weight  0.11000E+01 volume  0.62759E-04 ppm1      1.355 ppm2      8.918 CV     1
 ASSI { 1244}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 39   and name HB2 ))
      3.600     1.700     1.700 peak  1244 spectrum    1 weight  0.11000E+01 volume  0.43859E-02 ppm1      1.358 ppm2      2.821 CV     1
 ASSI { 1247}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 41   and name HA  ))
      6.000     6.000     0.000 peak  1247 spectrum    1 weight  0.11000E+01 volume  0.20649E-04 ppm1      1.359 ppm2      4.321 CV     1
 ASSI { 1248}
   (  segid "    " and resid 32   and name HB% )
   (( segid "    " and resid 46   and name HD1 ))
      3.300     1.400     1.400 peak  1248 spectrum    1 weight  0.11000E+01 volume  0.12052E-02 ppm1      1.331 ppm2      3.082 CV     1
 ASSI { 1249}
   (  segid "    " and resid 32   and name HB% )
   (( segid "    " and resid 46   and name HD2 ))
      3.000     3.000     3.000 peak  1249 spectrum    1 weight  0.11000E+01 volume  0.29442E-02 ppm1      1.330 ppm2      2.913 CV     1
 ASSI { 1250}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 45   and name HG2 ))
      5.000     3.100     1.000 peak  1250 spectrum    1 weight  0.11000E+01 volume  0.34024E-03 ppm1      1.358 ppm2      2.364 CV     1
 ASSI { 1252}
   (  segid "    " and resid 32   and name HB% )
   (( segid "    " and resid 46   and name HG2 ))
      5.200     5.200     0.800 peak  1252 spectrum    1 weight  0.11000E+01 volume  0.42162E-03 ppm1      1.330 ppm2      1.630 CV     1
 ASSI { 1254}
   (  segid "    " and resid 32   and name HB% )
   (  segid "    " and resid 47   and name HD1%)
      2.700     2.700     3.300 peak  1254 spectrum    1 weight  0.11000E+01 volume  0.44823E-02 ppm1      1.328 ppm2      0.725 CV     1
 ASSI { 1255}
   (  segid "    " and resid 32   and name HB% )
   (  segid "    " and resid 18   and name HD1%)
      3.500     3.500     2.500 peak  1255 spectrum    1 weight  0.11000E+01 volume  0.86492E-03 ppm1      1.327 ppm2      0.496 CV     1
 ASSI { 1256}
   (  segid "    " and resid 32   and name HB% )
   (  segid "    " and resid 47   and name HD2%)
      2.800     2.800     3.200 peak  1256 spectrum    1 weight  0.11000E+01 volume  0.27215E-02 ppm1      1.328 ppm2      0.232 CV     1
 ASSI { 1258}
   (  segid "    " and resid 32   and name HB% )
   (( segid "    " and resid 33   and name HB1 ))
      5.700     5.700     0.300 peak  1258 spectrum    1 weight  0.11000E+01 volume  0.21144E-03 ppm1      1.332 ppm2      0.037 CV     1
 ASSI { 1259}
   (  segid "    " and resid 35   and name HB% )
   (( segid "    " and resid 34   and name HB  ))
      4.400     2.400     1.600 peak  1259 spectrum    1 weight  0.11000E+01 volume  0.44052E-03 ppm1      1.434 ppm2      1.821 CV     1
 ASSI { 1260}
   (  segid "    " and resid 35   and name HB% )
   (  segid "    " and resid 36   and name HG2%)
      2.600     2.600     3.400 peak  1260 spectrum    1 weight  0.11000E+01 volume  0.47437E-02 ppm1      1.433 ppm2      0.925 CV     1
 ASSI { 1261}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      5.300     5.300     0.700 peak  1261 spectrum    1 weight  0.11000E+01 volume  0.20839E-03 ppm1      3.613 ppm2      8.062 CV     1
 ASSI { 1262}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     6.000     0.000 peak  1262 spectrum    1 weight  0.11000E+01 volume  0.48483E-04 ppm1      3.613 ppm2      8.919 CV     1
 ASSI { 1264}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak  1264 spectrum    1 weight  0.11000E+01 volume  0.18078E-02 ppm1      2.972 ppm2      7.213 CV     1
 ASSI { 1265}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.900     0.900 peak  1265 spectrum    1 weight  0.11000E+01 volume  0.28297E-02 ppm1      2.972 ppm2      8.262 CV     1
 ASSI { 1266}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     6.000     0.000 peak  1266 spectrum    1 weight  0.11000E+01 volume  0.25135E-04 ppm1      2.973 ppm2      4.306 CV     1
 ASSI { 1267}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
      4.000     2.000     2.000 peak  1267 spectrum    1 weight  0.11000E+01 volume  0.53186E-03 ppm1      2.971 ppm2      3.915 CV     1
 ASSI { 1268}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      3.100     1.200     1.200 peak  1268 spectrum    1 weight  0.11000E+01 volume  0.16015E-02 ppm1      2.971 ppm2      1.730 CV     1
 ASSI { 1269}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.400     0.700     0.700 peak  1269 spectrum    1 weight  0.11000E+01 volume  0.46075E-02 ppm1      2.972 ppm2      1.539 CV     1
 ASSI { 1270}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG  ))
      3.200     1.300     1.300 peak  1270 spectrum    1 weight  0.11000E+01 volume  0.14053E-02 ppm1      2.972 ppm2      1.347 CV     1
 ASSI { 1271}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.200     2.200     1.800 peak  1271 spectrum    1 weight  0.11000E+01 volume  0.15273E-02 ppm1      2.971 ppm2      1.171 CV     1
 ASSI { 1273}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 18   and name HD2%)
      3.500     1.500     1.500 peak  1273 spectrum    1 weight  0.11000E+01 volume  0.83849E-03 ppm1      2.968 ppm2      0.511 CV     1
 ASSI { 1274}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HG11))
      2.500     0.800     0.800 peak  1274 spectrum    1 weight  0.11000E+01 volume  0.59558E-02 ppm1      2.973 ppm2      0.260 CV     1
 ASSI { 1277}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      2.800     1.000     1.000 peak  1277 spectrum    1 weight  0.11000E+01 volume  0.29197E-02 ppm1      3.613 ppm2      1.768 CV     1
 ASSI { 1278}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 35   and name HB% )
      5.000     5.000     1.000 peak  1278 spectrum    1 weight  0.11000E+01 volume  0.31422E-03 ppm1      3.615 ppm2      1.451 CV     1
 ASSI { 1279}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      4.700     2.800     1.300 peak  1279 spectrum    1 weight  0.11000E+01 volume  0.14321E-03 ppm1      3.619 ppm2      0.041 CV     1
 ASSI { 1282}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 44   and name HG12))
      2.400     0.700     0.700 peak  1282 spectrum    1 weight  0.11000E+01 volume  0.78118E-02 ppm1      1.730 ppm2      1.544 CV     1
 ASSI { 1283}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
      2.000     0.500     0.500 peak  1283 spectrum    1 weight  0.11000E+01 volume  0.18130E-01 ppm1      1.726 ppm2      0.802 CV     1
 ASSI { 1284}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
      4.400     2.500     1.600 peak  1284 spectrum    1 weight  0.11000E+01 volume  0.46017E-03 ppm1      1.753 ppm2      8.056 CV     1
 ASSI { 1285}
   (( segid "    " and resid 34   and name HB  ))
   (  segid "    " and resid 11   and name HD% )
      5.100     3.200     0.900 peak  1285 spectrum    1 weight  0.11000E+01 volume  0.42463E-03 ppm1      1.754 ppm2      7.025 CV     1
 ASSI { 1289}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.000     2.000     2.000 peak  1289 spectrum    1 weight  0.11000E+01 volume  0.10672E-02 ppm1      1.747 ppm2      2.053 CV     1
 ASSI { 1292}
   (( segid "    " and resid 34   and name HG12))
   (( segid "    " and resid 35   and name HN  ))
      5.100     3.300     0.900 peak  1292 spectrum    1 weight  0.11000E+01 volume  0.32469E-03 ppm1      1.878 ppm2      7.707 CV     1
 ASSI { 1294}
   (( segid "    " and resid 34   and name HG12))
   (( segid "    " and resid 32   and name HN  ))
      5.700     4.100     0.300 peak  1294 spectrum    1 weight  0.11000E+01 volume  0.20600E-03 ppm1      1.884 ppm2      8.059 CV     1
 ASSI { 1297}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 9    and name HB  ))
      4.700     2.700     1.300 peak  1297 spectrum    1 weight  0.11000E+01 volume  0.57754E-03 ppm1      1.049 ppm2      2.053 CV     1
 ASSI { 1298}
   (( segid "    " and resid 34   and name HG11))
   (( segid "    " and resid 34   and name HG12))
      1.900     0.500     0.500 peak  1298 spectrum    1 weight  0.11000E+01 volume  0.37414E-02 ppm1      1.046 ppm2      1.876 CV     1
 ASSI { 1301}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 41   and name HA  ))
      5.500     5.500     0.500 peak  1301 spectrum    1 weight  0.11000E+01 volume  0.21946E-03 ppm1      1.567 ppm2      4.311 CV     1
 ASSI { 1303}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 44   and name HA  ))
      3.300     1.400     1.400 peak  1303 spectrum    1 weight  0.11000E+01 volume  0.92588E-03 ppm1      1.558 ppm2      2.974 CV     1
 ASSI { 1305}
   (( segid "    " and resid 44   and name HG11))
   (( segid "    " and resid 44   and name HB  ))
      2.900     2.900     3.100 peak  1305 spectrum    1 weight  0.11000E+01 volume  0.14833E-02 ppm1      0.290 ppm2      1.720 CV     1
 ASSI { 1306}
   (( segid "    " and resid 44   and name HG11))
   (( segid "    " and resid 44   and name HG12))
      2.100     0.500     0.500 peak  1306 spectrum    1 weight  0.11000E+01 volume  0.28560E-02 ppm1      0.286 ppm2      1.556 CV     1
 ASSI { 1307}
   (( segid "    " and resid 44   and name HG11))
   (( segid "    " and resid 40   and name HG11))
      3.500     1.500     1.500 peak  1307 spectrum    1 weight  0.11000E+01 volume  0.24396E-03 ppm1      0.285 ppm2      1.168 CV     1
 ASSI { 1308}
   (( segid "    " and resid 44   and name HG11))
   (  segid "    " and resid 18   and name HD1%)
      4.000     2.000     2.000 peak  1308 spectrum    1 weight  0.11000E+01 volume  0.88512E-03 ppm1      0.288 ppm2      0.495 CV     1
 ASSI { 1310}
   (( segid "    " and resid 44   and name HG12))
   (  segid "    " and resid 18   and name HD2%)
      2.600     2.600     3.400 peak  1310 spectrum    1 weight  0.11000E+01 volume  0.14571E-02 ppm1      1.549 ppm2      0.498 CV     1
 ASSI { 1312}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 40   and name HG11))
      3.100     3.100     2.900 peak  1312 spectrum    1 weight  0.11000E+01 volume  0.49223E-03 ppm1      1.550 ppm2      1.163 CV     1
 ASSI { 1313}
   (( segid "    " and resid 44   and name HG12))
   (( segid "    " and resid 40   and name HA  ))
      6.000     6.000     0.000 peak  1313 spectrum    1 weight  0.11000E+01 volume  0.62083E-04 ppm1      1.558 ppm2      3.503 CV     1
 ASSI { 1316}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      5.000     3.100     1.000 peak  1316 spectrum    1 weight  0.11000E+01 volume  0.80377E-03 ppm1      0.812 ppm2      4.308 CV     1
 ASSI { 1318}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      2.800     1.000     1.000 peak  1318 spectrum    1 weight  0.11000E+01 volume  0.22956E-02 ppm1      0.812 ppm2      2.972 CV     1
 ASSI { 1319}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 18   and name HB2 ))
      2.400     2.400     3.600 peak  1319 spectrum    1 weight  0.11000E+01 volume  0.21027E-02 ppm1      0.813 ppm2      1.901 CV     1
 ASSI { 1322}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 18   and name HD1%)
      6.000     6.000     0.000 peak  1322 spectrum    1 weight  0.11000E+01 volume  0.32442E-05 ppm1      0.813 ppm2      0.498 CV     1
 ASSI { 1323}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 44   and name HG11))
      2.600     2.600     3.400 peak  1323 spectrum    1 weight  0.11000E+01 volume  0.28430E-02 ppm1      0.809 ppm2      0.263 CV     1
 ASSI { 1325}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
      4.200     2.200     1.800 peak  1325 spectrum    1 weight  0.11000E+01 volume  0.10526E-02 ppm1      0.754 ppm2      2.970 CV     1
 ASSI { 1326}
   (  segid "    " and resid 44   and name HD1%)
   (  segid "    " and resid 21   and name HE% )
      2.200     0.600     0.600 peak  1326 spectrum    1 weight  0.11000E+01 volume  0.11297E-01 ppm1      0.750 ppm2      2.138 CV     1
 ASSI { 1327}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 44   and name HB  ))
      2.100     2.100     3.900 peak  1327 spectrum    1 weight  0.11000E+01 volume  0.14853E-01 ppm1      0.756 ppm2      1.722 CV     1
 ASSI { 1328}
   (  segid "    " and resid 44   and name HD1%)
   (( segid "    " and resid 44   and name HG12))
      2.000     0.500     0.500 peak  1328 spectrum    1 weight  0.11000E+01 volume  0.13117E-01 ppm1      0.755 ppm2      1.566 CV     1
 ASSI { 1330}
   (  segid "    " and resid 34   and name HG2%)
   (( segid "    " and resid 31   and name HG2 ))
      5.500     5.500     0.500 peak  1330 spectrum    1 weight  0.11000E+01 volume  0.14868E-03 ppm1      0.895 ppm2      2.461 CV     1
 ASSI { 1331}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak  1331 spectrum    1 weight  0.11000E+01 volume  0.55996E-03 ppm1      4.060 ppm2      9.297 CV     1
 ASSI { 1332}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HE22))
      4.800     2.900     1.200 peak  1332 spectrum    1 weight  0.11000E+01 volume  0.18621E-03 ppm1      4.061 ppm2      6.910 CV     1
 ASSI { 1334}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.500     1.500     1.500 peak  1334 spectrum    1 weight  0.11000E+01 volume  0.14074E-02 ppm1      3.874 ppm2      8.372 CV     1
 ASSI { 1335}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
      4.600     2.600     1.400 peak  1335 spectrum    1 weight  0.11000E+01 volume  0.76977E-03 ppm1      3.880 ppm2      4.195 CV     1
 ASSI { 1336}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
      2.800     1.000     1.000 peak  1336 spectrum    1 weight  0.11000E+01 volume  0.36539E-02 ppm1      3.882 ppm2      2.362 CV     1
 ASSI { 1337}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.900     1.000     1.000 peak  1337 spectrum    1 weight  0.11000E+01 volume  0.18677E-02 ppm1      3.876 ppm2      1.812 CV     1
 ASSI { 1338}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      4.400     2.400     1.600 peak  1338 spectrum    1 weight  0.11000E+01 volume  0.44878E-03 ppm1      3.875 ppm2      1.503 CV     1
 ASSI { 1339}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HD1%)
      4.300     4.300     1.700 peak  1339 spectrum    1 weight  0.11000E+01 volume  0.65325E-03 ppm1      3.880 ppm2      0.849 CV     1
 ASSI { 1341}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 42   and name HB% )
      3.900     3.900     2.100 peak  1341 spectrum    1 weight  0.11000E+01 volume  0.10239E-02 ppm1      2.008 ppm2      1.357 CV     1
 ASSI { 1343}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 44   and name HN  ))
      4.500     2.500     1.500 peak  1343 spectrum    1 weight  0.11000E+01 volume  0.49759E-03 ppm1      2.164 ppm2      8.278 CV     1
 ASSI { 1344}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak  1344 spectrum    1 weight  0.11000E+01 volume  0.41415E-02 ppm1      2.164 ppm2      3.872 CV     1
 ASSI { 1345}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.400     1.400 peak  1345 spectrum    1 weight  0.11000E+01 volume  0.11951E-02 ppm1      2.163 ppm2      4.134 CV     1
 ASSI { 1347}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 42   and name HB% )
      5.300     5.300     0.700 peak  1347 spectrum    1 weight  0.11000E+01 volume  0.17746E-03 ppm1      2.161 ppm2      1.361 CV     1
 ASSI { 1349}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 44   and name HD1%)
      3.100     3.100     2.900 peak  1349 spectrum    1 weight  0.11000E+01 volume  0.50296E-03 ppm1      2.359 ppm2      0.813 CV     1
 ASSI { 1352}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HD1 ))
      2.500     0.800     0.800 peak  1352 spectrum    1 weight  0.11000E+01 volume  0.34574E-02 ppm1      1.837 ppm2      3.122 CV     1
 ASSI { 1353}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
      5.200     3.400     0.800 peak  1353 spectrum    1 weight  0.11000E+01 volume  0.15569E-03 ppm1      1.847 ppm2      0.253 CV     1
 ASSI { 1354}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 32   and name HB% )
      2.600     0.900     0.900 peak  1354 spectrum    1 weight  0.11000E+01 volume  0.23048E-02 ppm1      1.846 ppm2      1.340 CV     1
 ASSI { 1355}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG1 ))
      2.600     0.800     0.800 peak  1355 spectrum    1 weight  0.11000E+01 volume  0.96173E-02 ppm1      1.841 ppm2      1.520 CV     1
 ASSI { 1356}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.000     2.000     4.000 peak  1356 spectrum    1 weight  0.11000E+01 volume  0.34277E-01 ppm1      1.850 ppm2      1.672 CV     1
 ASSI { 1357}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak  1357 spectrum    1 weight  0.11000E+01 volume  0.36908E-02 ppm1      4.029 ppm2      8.343 CV     1
 ASSI { 1361}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak  1361 spectrum    1 weight  0.11000E+01 volume  0.13688E-02 ppm1      4.023 ppm2      7.834 CV     1
 ASSI { 1362}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      4.200     2.200     1.800 peak  1362 spectrum    1 weight  0.11000E+01 volume  0.30294E-03 ppm1      4.021 ppm2      8.003 CV     1
 ASSI { 1366}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 32   and name HB% )
      5.100     5.100     0.900 peak  1366 spectrum    1 weight  0.11000E+01 volume  0.49728E-03 ppm1      4.024 ppm2      1.362 CV     1
 ASSI { 1371}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HD2 ))
      3.100     1.200     1.200 peak  1371 spectrum    1 weight  0.11000E+01 volume  0.19185E-02 ppm1      1.644 ppm2      2.913 CV     1
 ASSI { 1374}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HH11))
      3.100     1.200     1.200 peak  1374 spectrum    1 weight  0.11000E+01 volume  0.11012E-02 ppm1      3.086 ppm2      7.422 CV     1
 ASSI { 1375}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HH12))
      3.700     1.700     1.700 peak  1375 spectrum    1 weight  0.11000E+01 volume  0.32599E-02 ppm1      3.085 ppm2      7.552 CV     1
 ASSI { 1376}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HH12))
      4.300     2.300     1.700 peak  1376 spectrum    1 weight  0.11000E+01 volume  0.11421E-02 ppm1      2.915 ppm2      7.553 CV     1
 ASSI { 1377}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 32   and name HN  ))
      4.900     3.000     1.100 peak  1377 spectrum    1 weight  0.11000E+01 volume  0.32533E-04 ppm1      2.910 ppm2      8.058 CV     1
 ASSI { 1378}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HB2 ))
      3.000     1.100     1.100 peak  1378 spectrum    1 weight  0.11000E+01 volume  0.19695E-02 ppm1      2.918 ppm2      1.847 CV     1
 ASSI { 1380}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.300     0.700     0.700 peak  1380 spectrum    1 weight  0.11000E+01 volume  0.70759E-02 ppm1      3.089 ppm2      1.656 CV     1
 ASSI { 1382}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HG1 ))
      2.300     0.700     0.700 peak  1382 spectrum    1 weight  0.11000E+01 volume  0.47866E-02 ppm1      2.919 ppm2      1.472 CV     1
 ASSI { 1383}
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HG1 ))
      2.700     0.900     0.900 peak  1383 spectrum    1 weight  0.11000E+01 volume  0.44157E-02 ppm1      3.084 ppm2      1.477 CV     1
 ASSI { 1384}
   (( segid "    " and resid 46   and name HD1 ))
   (  segid "    " and resid 36   and name HG2%)
      3.300     1.400     1.400 peak  1384 spectrum    1 weight  0.11000E+01 volume  0.25695E-02 ppm1      3.089 ppm2      0.946 CV     1
 ASSI { 1386}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      5.000     3.100     1.000 peak  1386 spectrum    1 weight  0.11000E+01 volume  0.38305E-03 ppm1      4.413 ppm2      2.349 CV     1
 ASSI { 1387}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      5.000     3.100     1.000 peak  1387 spectrum    1 weight  0.11000E+01 volume  0.53678E-03 ppm1      4.411 ppm2      2.178 CV     1
 ASSI { 1388}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.300     2.400     1.700 peak  1388 spectrum    1 weight  0.11000E+01 volume  0.12000E-02 ppm1      4.412 ppm2      1.973 CV     1
 ASSI { 1389}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      5.000     3.200     1.000 peak  1389 spectrum    1 weight  0.11000E+01 volume  0.26625E-03 ppm1      4.415 ppm2      1.627 CV     1
 ASSI { 1390}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.900     3.900     2.100 peak  1390 spectrum    1 weight  0.11000E+01 volume  0.65321E-03 ppm1      4.415 ppm2      0.888 CV     1
 ASSI { 1391}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.400     1.400 peak  1391 spectrum    1 weight  0.11000E+01 volume  0.14548E-02 ppm1      3.884 ppm2      8.293 CV     1
 ASSI { 1392}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      4.200     2.200     1.800 peak  1392 spectrum    1 weight  0.11000E+01 volume  0.97043E-03 ppm1      3.833 ppm2      8.293 CV     1
 ASSI { 1394}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50   and name HA  ))
      2.500     0.800     0.800 peak  1394 spectrum    1 weight  0.11000E+01 volume  0.44364E-02 ppm1      3.839 ppm2      4.412 CV     1
 ASSI { 1395}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 52   and name HB1 ))
      5.700     4.100     0.300 peak  1395 spectrum    1 weight  0.11000E+01 volume  0.17124E-03 ppm1      3.889 ppm2      1.624 CV     1
 ASSI { 1396}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 52   and name HB1 ))
      5.700     4.100     0.300 peak  1396 spectrum    1 weight  0.11000E+01 volume  0.10454E-03 ppm1      3.845 ppm2      1.619 CV     1
 ASSI { 1397}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.700     1.700 peak  1397 spectrum    1 weight  0.11000E+01 volume  0.68671E-03 ppm1      3.930 ppm2      9.215 CV     1
 ASSI { 1398}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      4.800     2.900     1.200 peak  1398 spectrum    1 weight  0.11000E+01 volume  0.11970E-03 ppm1      3.940 ppm2      8.150 CV     1
 ASSI { 1399}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      3.800     1.800     1.800 peak  1399 spectrum    1 weight  0.11000E+01 volume  0.45823E-03 ppm1      3.929 ppm2      7.018 CV     1
 ASSI { 1400}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.000     1.100     1.100 peak  1400 spectrum    1 weight  0.11000E+01 volume  0.14445E-02 ppm1      3.931 ppm2      1.891 CV     1
 ASSI { 1401}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.600     2.700     1.400 peak  1401 spectrum    1 weight  0.11000E+01 volume  0.12315E-03 ppm1      3.919 ppm2      1.327 CV     1
 ASSI { 1402}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      4.700     2.700     1.300 peak  1402 spectrum    1 weight  0.11000E+01 volume  0.61547E-03 ppm1      3.934 ppm2      1.073 CV     1
 ASSI { 1405}
   (( segid "    " and resid 49   and name HA2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.500     2.500     1.500 peak  1405 spectrum    1 weight  0.11000E+01 volume  0.34680E-03 ppm1      4.013 ppm2      8.349 CV     1
 ASSI { 1406}
   (( segid "    " and resid 49   and name HA1 ))
   (( segid "    " and resid 51   and name HN  ))
      4.000     2.000     2.000 peak  1406 spectrum    1 weight  0.11000E+01 volume  0.78830E-03 ppm1      3.922 ppm2      8.364 CV     1
 ASSI { 1407}
   (( segid "    " and resid 49   and name HA2 ))
   (( segid "    " and resid 48   and name HB2 ))
      4.400     2.400     1.600 peak  1407 spectrum    1 weight  0.11000E+01 volume  0.58909E-03 ppm1      3.992 ppm2      1.835 CV     1
 ASSI { 1408}
   (( segid "    " and resid 49   and name HA1 ))
   (( segid "    " and resid 48   and name HB2 ))
      4.200     2.200     1.800 peak  1408 spectrum    1 weight  0.11000E+01 volume  0.90726E-03 ppm1      3.912 ppm2      1.841 CV     1
 ASSI { 1409}
   (( segid "    " and resid 49   and name HA1 ))
   (( segid "    " and resid 48   and name HB1 ))
      3.800     1.800     1.800 peak  1409 spectrum    1 weight  0.11000E+01 volume  0.11051E-02 ppm1      3.911 ppm2      1.565 CV     1
 ASSI { 1410}
   (( segid "    " and resid 49   and name HA2 ))
   (( segid "    " and resid 48   and name HB1 ))
      3.600     1.600     1.600 peak  1410 spectrum    1 weight  0.11000E+01 volume  0.10599E-02 ppm1      4.008 ppm2      1.530 CV     1
 ASSI { 1411}
   (( segid "    " and resid 49   and name HA2 ))
   (  segid "    " and resid 48   and name HD1%)
      2.800     2.800     3.200 peak  1411 spectrum    1 weight  0.11000E+01 volume  0.88940E-03 ppm1      3.993 ppm2      0.864 CV     1
 ASSI { 1412}
   (( segid "    " and resid 49   and name HA1 ))
   (  segid "    " and resid 48   and name HD1%)
      2.500     2.500     3.500 peak  1412 spectrum    1 weight  0.11000E+01 volume  0.16736E-02 ppm1      3.909 ppm2      0.876 CV     1
 ASSI { 1413}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 23   and name HZ  ))
      6.000     4.800     0.000 peak  1413 spectrum    1 weight  0.11000E+01 volume  0.59103E-04 ppm1      1.808 ppm2      7.148 CV     1
 ASSI { 1415}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      4.400     2.500     1.600 peak  1415 spectrum    1 weight  0.11000E+01 volume  0.64536E-03 ppm1      1.503 ppm2      7.714 CV     1
 ASSI { 1419}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 48   and name HD1%)
      2.800     1.000     1.000 peak  1419 spectrum    1 weight  0.11000E+01 volume  0.55779E-02 ppm1      1.809 ppm2      0.900 CV     1
 ASSI { 1420}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
      2.500     2.500     3.500 peak  1420 spectrum    1 weight  0.11000E+01 volume  0.97900E-02 ppm1      1.625 ppm2      0.867 CV     1
 ASSI { 1421}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HB2 ))
      2.100     0.500     0.500 peak  1421 spectrum    1 weight  0.11000E+01 volume  0.55143E-02 ppm1      1.498 ppm2      1.827 CV     1
 ASSI { 1422}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      4.000     2.000     2.000 peak  1422 spectrum    1 weight  0.11000E+01 volume  0.48506E-03 ppm1      4.254 ppm2      2.360 CV     1
 ASSI { 1423}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      4.200     2.200     1.800 peak  1423 spectrum    1 weight  0.11000E+01 volume  0.38696E-03 ppm1      4.255 ppm2      3.923 CV     1
 ASSI { 1424}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.000     1.000 peak  1424 spectrum    1 weight  0.11000E+01 volume  0.24702E-02 ppm1      4.244 ppm2      8.378 CV     1
 ASSI { 1425}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak  1425 spectrum    1 weight  0.11000E+01 volume  0.17324E-02 ppm1      4.252 ppm2      7.827 CV     1
 ASSI { 1427}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 23   and name HZ  ))
      3.400     1.500     1.500 peak  1427 spectrum    1 weight  0.11000E+01 volume  0.10134E-02 ppm1      4.256 ppm2      7.142 CV     1
 ASSI { 1428}
   (( segid "    " and resid 48   and name HG  ))
   (( segid "    " and resid 48   and name HN  ))
      3.500     1.600     1.600 peak  1428 spectrum    1 weight  0.11000E+01 volume  0.20405E-02 ppm1      1.897 ppm2      8.388 CV     1
 ASSI { 1429}
   (( segid "    " and resid 48   and name HG  ))
   (( segid "    " and resid 23   and name HZ  ))
      3.700     1.700     1.700 peak  1429 spectrum    1 weight  0.11000E+01 volume  0.14270E-02 ppm1      1.897 ppm2      7.141 CV     1
 ASSI { 1430}
   (( segid "    " and resid 48   and name HG  ))
   (( segid "    " and resid 48   and name HA  ))
      3.900     1.900     1.900 peak  1430 spectrum    1 weight  0.11000E+01 volume  0.67061E-03 ppm1      1.893 ppm2      4.252 CV     1
 ASSI { 1431}
   (( segid "    " and resid 48   and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     2.700     3.300 peak  1431 spectrum    1 weight  0.11000E+01 volume  0.10390E-02 ppm1      1.908 ppm2      3.888 CV     1
 ASSI { 1432}
   (( segid "    " and resid 48   and name HG  ))
   (( segid "    " and resid 48   and name HB1 ))
      4.500     2.600     1.500 peak  1432 spectrum    1 weight  0.11000E+01 volume  0.15079E-03 ppm1      1.895 ppm2      1.498 CV     1
 ASSI { 1434}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
      4.000     2.000     2.000 peak  1434 spectrum    1 weight  0.11000E+01 volume  0.41118E-03 ppm1      0.872 ppm2      4.261 CV     1
 ASSI { 1435}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HG  ))
      2.300     0.600     0.600 peak  1435 spectrum    1 weight  0.11000E+01 volume  0.95366E-02 ppm1      0.877 ppm2      1.887 CV     1
 ASSI { 1436}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HB1 ))
      2.700     0.900     0.900 peak  1436 spectrum    1 weight  0.11000E+01 volume  0.42313E-02 ppm1      0.867 ppm2      1.506 CV     1
 ASSI { 1438}
   (  segid "    " and resid 48   and name HD2%)
   (( segid "    " and resid 44   and name HG11))
      6.000     6.000     0.000 peak  1438 spectrum    1 weight  0.11000E+01 volume  0.36132E-05 ppm1      0.978 ppm2      0.263 CV     1
 ASSI { 1439}
   (  segid "    " and resid 48   and name HD2%)
   (  segid "    " and resid 21   and name HE% )
      3.700     3.700     2.300 peak  1439 spectrum    1 weight  0.11000E+01 volume  0.17145E-03 ppm1      0.985 ppm2      2.097 CV     1
 ASSI { 1441}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.900     0.000 peak  1441 spectrum    1 weight  0.11000E+01 volume  0.13750E-03 ppm1      1.595 ppm2      2.272 CV     1
 ASSI { 1443}
   (( segid "    " and resid 30   and name HG  ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.300     1.300 peak  1443 spectrum    1 weight  0.11000E+01 volume  0.14817E-02 ppm1      1.653 ppm2      7.885 CV     1
 ASSI { 1444}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     1.300     1.300 peak  1444 spectrum    1 weight  0.11000E+01 volume  0.19904E-02 ppm1      1.605 ppm2      4.361 CV     1
 ASSI { 1446}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 53   and name HN  ))
      3.800     3.800     2.200 peak  1446 spectrum    1 weight  0.11000E+01 volume  0.14501E-03 ppm1      0.819 ppm2      7.976 CV     1
 ASSI { 1450}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      3.600     1.700     1.700 peak  1450 spectrum    1 weight  0.11000E+01 volume  0.36333E-03 ppm1      0.920 ppm2      7.885 CV     1
 ASSI { 1452}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      4.100     2.100     1.900 peak  1452 spectrum    1 weight  0.11000E+01 volume  0.60370E-03 ppm1      0.883 ppm2      4.380 CV     1
 ASSI { 1453}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
      4.400     2.400     1.600 peak  1453 spectrum    1 weight  0.11000E+01 volume  0.65578E-03 ppm1      0.883 ppm2      4.291 CV     1
 ASSI { 1455}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 23   and name HD% )
      3.300     3.300     2.700 peak  1455 spectrum    1 weight  0.11000E+01 volume  0.20069E-02 ppm1      2.118 ppm2      7.263 CV     1
 ASSI { 1456}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 40   and name HG11))
      6.000     6.000     0.000 peak  1456 spectrum    1 weight  0.11000E+01 volume  0.55905E-04 ppm1      2.115 ppm2      1.129 CV     1
 ASSI { 1459}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 44   and name HG11))
      4.500     2.500     1.500 peak  1459 spectrum    1 weight  0.11000E+01 volume  0.77257E-03 ppm1      2.115 ppm2      0.287 CV     1
 ASSI { 1460}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 21   and name HB2 ))
      3.800     1.800     1.800 peak  1460 spectrum    1 weight  0.11000E+01 volume  0.99383E-03 ppm1      2.115 ppm2      2.521 CV     1
 ASSI { 1461}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 21   and name HG2 ))
      3.400     1.400     1.400 peak  1461 spectrum    1 weight  0.11000E+01 volume  0.13383E-02 ppm1      2.116 ppm2      2.860 CV     1
 ASSI { 1463}
   (  segid "    " and resid 21   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
      3.800     1.800     1.800 peak  1463 spectrum    1 weight  0.11000E+01 volume  0.11005E-02 ppm1      2.116 ppm2      4.130 CV     1
 ASSI { 1465}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      4.900     3.100     1.100 peak  1465 spectrum    1 weight  0.11000E+01 volume  0.28502E-03 ppm1      2.860 ppm2      8.311 CV     1
 ASSI { 1466}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     5.600     0.000 peak  1466 spectrum    1 weight  0.11000E+01 volume  0.42262E-04 ppm1      2.576 ppm2      8.297 CV     1
 ASSI { 1467}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     6.000     0.000 peak  1467 spectrum    1 weight  0.11000E+01 volume  0.10625E-03 ppm1      2.850 ppm2      7.846 CV     1
 ASSI { 1471}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 23   and name HD% )
      5.200     5.200     0.800 peak  1471 spectrum    1 weight  0.11000E+01 volume  0.45940E-03 ppm1      2.849 ppm2      7.210 CV     1
 ASSI { 1472}
   (( segid "    " and resid 21   and name HG1 ))
   (  segid "    " and resid 23   and name HD% )
      4.900     4.900     1.100 peak  1472 spectrum    1 weight  0.11000E+01 volume  0.29889E-03 ppm1      2.577 ppm2      7.206 CV     1
 ASSI { 1475}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 20   and name HB2 ))
      5.400     3.700     0.600 peak  1475 spectrum    1 weight  0.11000E+01 volume  0.31834E-03 ppm1      2.575 ppm2      4.129 CV     1
 ASSI { 1477}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HG1 ))
      1.700     0.300     0.500 peak  1477 spectrum    1 weight  0.11000E+01 volume  0.11945E-01 ppm1      2.853 ppm2      2.562 CV     1
 ASSI { 1479}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HB1 ))
      2.700     0.900     0.900 peak  1479 spectrum    1 weight  0.11000E+01 volume  0.45701E-02 ppm1      2.846 ppm2      2.321 CV     1
 ASSI { 1481}
   (( segid "    " and resid 21   and name HG1 ))
   (( segid "    " and resid 21   and name HB1 ))
      2.700     0.900     0.900 peak  1481 spectrum    1 weight  0.11000E+01 volume  0.49565E-02 ppm1      2.578 ppm2      2.341 CV     1
 ASSI { 1482}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 44   and name HD1%)
      6.000     6.000     0.000 peak  1482 spectrum    1 weight  0.11000E+01 volume  0.55865E-04 ppm1      2.851 ppm2      0.774 CV     1
 ASSI { 1483}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 18   and name HD2%)
      6.000     5.300     0.000 peak  1483 spectrum    1 weight  0.11000E+01 volume  0.17618E-03 ppm1      2.855 ppm2      0.498 CV     1
 ASSI { 1484}
   (( segid "    " and resid 21   and name HG1 ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     6.000     0.000 peak  1484 spectrum    1 weight  0.11000E+01 volume  0.13360E-04 ppm1      2.571 ppm2      0.493 CV     1
 ASSI { 1485}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak  1485 spectrum    1 weight  0.11000E+01 volume  0.10373E-02 ppm1      2.502 ppm2      7.647 CV     1
 ASSI { 1488}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 23   and name HD% )
      3.200     3.200     2.800 peak  1488 spectrum    1 weight  0.11000E+01 volume  0.74984E-03 ppm1      2.501 ppm2      7.206 CV     1
 ASSI { 1489}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 23   and name HD% )
      3.600     3.600     2.400 peak  1489 spectrum    1 weight  0.11000E+01 volume  0.93034E-03 ppm1      2.314 ppm2      7.203 CV     1
 ASSI { 1490}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      4.000     2.000     2.000 peak  1490 spectrum    1 weight  0.11000E+01 volume  0.62841E-03 ppm1      2.495 ppm2      4.346 CV     1
 ASSI { 1492}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 20   and name HB2 ))
      5.000     3.200     1.000 peak  1492 spectrum    1 weight  0.11000E+01 volume  0.58692E-03 ppm1      2.486 ppm2      4.128 CV     1
 ASSI { 1495}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 18   and name HD1%)
      5.600     5.600     0.400 peak  1495 spectrum    1 weight  0.11000E+01 volume  0.38029E-03 ppm1      2.308 ppm2      0.497 CV     1
 ASSI { 1499}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HE% )
      4.100     2.100     1.900 peak  1499 spectrum    1 weight  0.11000E+01 volume  0.99284E-03 ppm1      4.353 ppm2      2.114 CV     1
 ASSI { 1500}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      4.600     2.600     1.400 peak  1500 spectrum    1 weight  0.11000E+01 volume  0.62633E-03 ppm1      4.210 ppm2      7.884 CV     1
 ASSI { 1502}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 19   and name HD22))
      3.900     1.900     1.900 peak  1502 spectrum    1 weight  0.11000E+01 volume  0.13194E-03 ppm1      4.211 ppm2      7.005 CV     1
 ASSI { 1503}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.000     3.100     1.000 peak  1503 spectrum    1 weight  0.11000E+01 volume  0.38521E-03 ppm1      4.203 ppm2      2.890 CV     1
 ASSI { 1504}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      4.500     2.500     1.500 peak  1504 spectrum    1 weight  0.11000E+01 volume  0.21993E-03 ppm1      4.204 ppm2      2.732 CV     1
 ASSI { 1505}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 19   and name HD21))
      4.600     2.600     1.400 peak  1505 spectrum    1 weight  0.11000E+01 volume  0.38030E-03 ppm1      4.041 ppm2      7.917 CV     1
 ASSI { 1506}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.300     1.300 peak  1506 spectrum    1 weight  0.11000E+01 volume  0.10739E-02 ppm1      4.041 ppm2      7.646 CV     1
 ASSI { 1507}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 17   and name HB1 ))
      5.500     5.500     0.500 peak  1507 spectrum    1 weight  0.11000E+01 volume  0.20459E-03 ppm1      2.888 ppm2      1.902 CV     1
 ASSI { 1508}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 17   and name HB1 ))
      5.500     5.500     0.500 peak  1508 spectrum    1 weight  0.11000E+01 volume  0.17660E-03 ppm1      2.730 ppm2      1.901 CV     1
 ASSI { 1509}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 15   and name HB1 ))
      4.700     2.700     1.300 peak  1509 spectrum    1 weight  0.11000E+01 volume  0.15353E-03 ppm1      2.889 ppm2      1.483 CV     1
 ASSI { 1513}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     5.000     0.000 peak  1513 spectrum    1 weight  0.11000E+01 volume  0.36654E-04 ppm1      3.964 ppm2      8.616 CV     1
 ASSI { 1514}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      4.500     2.500     1.500 peak  1514 spectrum    1 weight  0.11000E+01 volume  0.36616E-03 ppm1      3.968 ppm2      7.897 CV     1
 ASSI { 1515}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak  1515 spectrum    1 weight  0.11000E+01 volume  0.61731E-03 ppm1      3.969 ppm2      7.605 CV     1
 ASSI { 1516}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.700     1.700     1.700 peak  1516 spectrum    1 weight  0.11000E+01 volume  0.12664E-02 ppm1      3.973 ppm2      8.440 CV     1
 ASSI { 1519}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 30   and name HD1%)
      2.600     2.600     3.400 peak  1519 spectrum    1 weight  0.11000E+01 volume  0.32906E-02 ppm1      3.969 ppm2      0.886 CV     1
 ASSI { 1520}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HE21))
      3.100     1.200     1.200 peak  1520 spectrum    1 weight  0.11000E+01 volume  0.18600E-02 ppm1      1.967 ppm2      7.600 CV     1
 ASSI { 1521}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.100     1.200     1.200 peak  1521 spectrum    1 weight  0.11000E+01 volume  0.71909E-03 ppm1      2.082 ppm2      7.599 CV     1
 ASSI { 1525}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak  1525 spectrum    1 weight  0.11000E+01 volume  0.16467E-02 ppm1      2.278 ppm2      7.615 CV     1
 ASSI { 1526}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
      5.900     4.400     0.100 peak  1526 spectrum    1 weight  0.11000E+01 volume  0.15300E-03 ppm1      2.275 ppm2      8.605 CV     1
 ASSI { 1528}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 38   and name HN  ))
      3.100     3.100     2.900 peak  1528 spectrum    1 weight  0.11000E+01 volume  0.11709E-02 ppm1      3.986 ppm2      8.823 CV     1
 ASSI { 1529}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 39   and name HN  ))
      4.100     2.100     1.900 peak  1529 spectrum    1 weight  0.11000E+01 volume  0.93783E-03 ppm1      3.980 ppm2      6.872 CV     1
 ASSI { 1530}
   (( segid "    " and resid 37   and name HA1 ))
   (  segid "    " and resid 34   and name HG2%)
      2.700     2.700     3.300 peak  1530 spectrum    1 weight  0.11000E+01 volume  0.10586E-02 ppm1      3.987 ppm2      0.855 CV     1
 ASSI { 1531}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 10   and name HB1 ))
      4.400     4.400     1.600 peak  1531 spectrum    1 weight  0.11000E+01 volume  0.32210E-03 ppm1      3.973 ppm2      1.089 CV     1
 ASSI { 1533}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 36   and name HA  ))
      5.200     3.400     0.800 peak  1533 spectrum    1 weight  0.11000E+01 volume  0.11519E-03 ppm1      3.997 ppm2      4.518 CV     1
 ASSI { 1534}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 34   and name HA  ))
      5.300     3.500     0.700 peak  1534 spectrum    1 weight  0.11000E+01 volume  0.37776E-03 ppm1      3.995 ppm2      3.624 CV     1
 ASSI { 1535}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      5.100     3.300     0.900 peak  1535 spectrum    1 weight  0.11000E+01 volume  0.15536E-03 ppm1      0.897 ppm2      9.237 CV     1
 ASSI { 1537}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
      4.200     2.200     1.800 peak  1537 spectrum    1 weight  0.11000E+01 volume  0.11857E-02 ppm1      0.893 ppm2      8.114 CV     1
 ASSI { 1538}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      3.000     1.100     1.100 peak  1538 spectrum    1 weight  0.11000E+01 volume  0.18133E-02 ppm1      0.889 ppm2      7.521 CV     1
 ASSI { 1540}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 10   and name HD1 ))
      5.800     5.800     0.200 peak  1540 spectrum    1 weight  0.11000E+01 volume  0.14363E-03 ppm1      0.853 ppm2      2.673 CV     1
 ASSI { 1541}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 13   and name HE22))
      4.800     4.800     1.200 peak  1541 spectrum    1 weight  0.11000E+01 volume  0.24526E-03 ppm1      0.859 ppm2      6.904 CV     1
 ASSI { 1542}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
      3.700     1.700     1.700 peak  1542 spectrum    1 weight  0.11000E+01 volume  0.21647E-02 ppm1      0.858 ppm2      7.558 CV     1
 ASSI { 1544}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 6    and name HN  ))
      4.000     4.000     2.000 peak  1544 spectrum    1 weight  0.11000E+01 volume  0.11318E-03 ppm1      0.860 ppm2      8.506 CV     1
 ASSI { 1546}
   (( segid "    " and resid 12   and name HG2 ))
   (  segid "    " and resid 15   and name HD1%)
      3.400     3.400     2.600 peak  1546 spectrum    1 weight  0.11000E+01 volume  0.28770E-02 ppm1      2.402 ppm2      0.863 CV     1
 ASSI { 1547}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      3.300     3.300     2.700 peak  1547 spectrum    1 weight  0.11000E+01 volume  0.34281E-03 ppm1      2.080 ppm2      8.494 CV     1
 ASSI { 1548}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     6.000     0.000 peak  1548 spectrum    1 weight  0.11000E+01 volume  0.40472E-04 ppm1      2.076 ppm2      9.217 CV     1
 ASSI { 1549}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 9    and name HG2%)
      2.000     0.500     0.500 peak  1549 spectrum    1 weight  0.11000E+01 volume  0.15645E-01 ppm1      2.063 ppm2      0.886 CV     1
 ASSI { 1550}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      4.000     4.000     2.000 peak  1550 spectrum    1 weight  0.11000E+01 volume  0.44495E-03 ppm1      3.883 ppm2      8.743 CV     1
 ASSI { 1553}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     6.000     0.000 peak  1553 spectrum    1 weight  0.11000E+01 volume  0.29402E-04 ppm1      3.885 ppm2      7.847 CV     1
 ASSI { 1554}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      5.500     3.800     0.500 peak  1554 spectrum    1 weight  0.11000E+01 volume  0.85017E-04 ppm1      3.888 ppm2      9.299 CV     1
 ASSI { 1555}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.800     1.000     1.000 peak  1555 spectrum    1 weight  0.11000E+01 volume  0.30697E-02 ppm1      3.885 ppm2      2.088 CV     1
 ASSI { 1556}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HG  ))
      3.200     1.200     1.200 peak  1556 spectrum    1 weight  0.11000E+01 volume  0.57466E-03 ppm1      3.884 ppm2      1.651 CV     1
 ASSI { 1557}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      4.500     2.500     1.500 peak  1557 spectrum    1 weight  0.11000E+01 volume  0.73726E-03 ppm1      3.887 ppm2      1.489 CV     1
 ASSI { 1558}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      6.000     6.000     0.000 peak  1558 spectrum    1 weight  0.11000E+01 volume  0.35891E-04 ppm1      3.885 ppm2      0.509 CV     1
 ASSI { 1559}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak  1559 spectrum    1 weight  0.11000E+01 volume  0.18283E-02 ppm1      2.365 ppm2      7.386 CV     1
 ASSI { 1560}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HE21))
      4.400     2.400     1.600 peak  1560 spectrum    1 weight  0.11000E+01 volume  0.22113E-03 ppm1      2.360 ppm2      7.653 CV     1
 ASSI { 1561}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.600     0.000 peak  1561 spectrum    1 weight  0.11000E+01 volume  0.67580E-04 ppm1      2.362 ppm2      8.167 CV     1
 ASSI { 1563}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.800     0.800 peak  1563 spectrum    1 weight  0.11000E+01 volume  0.23706E-02 ppm1      2.092 ppm2      9.043 CV     1
 ASSI { 1564}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HB1 ))
      1.700     0.400     0.500 peak  1564 spectrum    1 weight  0.11000E+01 volume  0.11381E-01 ppm1      2.368 ppm2      2.087 CV     1
 ASSI { 1565}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 15   and name HD1%)
      3.500     1.500     1.500 peak  1565 spectrum    1 weight  0.11000E+01 volume  0.13925E-02 ppm1      2.367 ppm2      0.881 CV     1
 ASSI { 1569}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HH11))
      3.800     1.800     1.800 peak  1569 spectrum    1 weight  0.11000E+01 volume  0.10093E-02 ppm1      3.865 ppm2      7.020 CV     1
 ASSI { 1570}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HE21))
      3.400     1.500     1.500 peak  1570 spectrum    1 weight  0.11000E+01 volume  0.70709E-03 ppm1      3.851 ppm2      7.695 CV     1
 ASSI { 1572}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     0.800     0.800 peak  1572 spectrum    1 weight  0.11000E+01 volume  0.46400E-02 ppm1      3.850 ppm2      8.073 CV     1
 ASSI { 1574}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HE22))
      4.900     3.000     1.100 peak  1574 spectrum    1 weight  0.11000E+01 volume  0.34945E-03 ppm1      3.852 ppm2      6.913 CV     1
 ASSI { 1575}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 32   and name HB% )
      3.300     3.300     2.700 peak  1575 spectrum    1 weight  0.11000E+01 volume  0.30940E-02 ppm1      3.861 ppm2      1.341 CV     1
 ASSI { 1576}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 34   and name HG11))
      2.300     0.700     0.700 peak  1576 spectrum    1 weight  0.11000E+01 volume  0.24890E-02 ppm1      3.862 ppm2      1.075 CV     1
 ASSI { 1577}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 34   and name HD1%)
      2.200     0.600     0.600 peak  1577 spectrum    1 weight  0.11000E+01 volume  0.11693E-01 ppm1      3.861 ppm2      0.856 CV     1
 ASSI { 1578}
   (( segid "    " and resid 31   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.100     1.100 peak  1578 spectrum    1 weight  0.11000E+01 volume  0.25359E-02 ppm1      2.365 ppm2      3.873 CV     1
 ASSI { 1579}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HG2 ))
      1.700     1.700     4.300 peak  1579 spectrum    1 weight  0.11000E+01 volume  0.32395E-01 ppm1      2.050 ppm2      2.435 CV     1
 ASSI { 1580}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 32   and name HB% )
      3.500     3.500     2.500 peak  1580 spectrum    1 weight  0.11000E+01 volume  0.16367E-02 ppm1      2.047 ppm2      1.315 CV     1
 ASSI { 1582}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.900     0.900 peak  1582 spectrum    1 weight  0.11000E+01 volume  0.26050E-02 ppm1      3.850 ppm2      7.884 CV     1
 ASSI { 1584}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     1.500     1.500 peak  1584 spectrum    1 weight  0.11000E+01 volume  0.75588E-03 ppm1      3.885 ppm2      9.238 CV     1
 ASSI { 1586}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     3.600     2.400 peak  1586 spectrum    1 weight  0.11000E+01 volume  0.10340E-02 ppm1      3.871 ppm2      7.452 CV     1
 ASSI { 1587}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.400     1.400 peak  1587 spectrum    1 weight  0.11000E+01 volume  0.87592E-03 ppm1      3.879 ppm2      7.522 CV     1
 ASSI { 1588}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 11   and name HD% )
      3.800     1.800     1.800 peak  1588 spectrum    1 weight  0.11000E+01 volume  0.86952E-03 ppm1      3.865 ppm2      7.016 CV     1
 ASSI { 1589}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HD1 ))
      3.700     1.700     1.700 peak  1589 spectrum    1 weight  0.11000E+01 volume  0.82767E-03 ppm1      3.865 ppm2      2.676 CV     1
 ASSI { 1590}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HG1 ))
      3.300     1.400     1.400 peak  1590 spectrum    1 weight  0.11000E+01 volume  0.24556E-02 ppm1      3.867 ppm2      2.393 CV     1
 ASSI { 1591}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG1 ))
      2.600     0.800     0.800 peak  1591 spectrum    1 weight  0.11000E+01 volume  0.52970E-02 ppm1      3.881 ppm2      2.169 CV     1
 ASSI { 1592}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
      3.100     1.200     1.200 peak  1592 spectrum    1 weight  0.11000E+01 volume  0.74366E-02 ppm1      3.863 ppm2      1.340 CV     1
 ASSI { 1596}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HH11))
      5.300     3.500     0.700 peak  1596 spectrum    1 weight  0.11000E+01 volume  0.44095E-03 ppm1      1.322 ppm2      7.044 CV     1
 ASSI { 1597}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HD2 ))
      3.600     1.700     1.700 peak  1597 spectrum    1 weight  0.11000E+01 volume  0.16441E-02 ppm1      1.328 ppm2      2.786 CV     1
 ASSI { 1598}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HD1 ))
      3.600     1.600     1.600 peak  1598 spectrum    1 weight  0.11000E+01 volume  0.15464E-02 ppm1      1.330 ppm2      2.652 CV     1
 ASSI { 1599}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HD1 ))
      3.100     1.200     1.200 peak  1599 spectrum    1 weight  0.11000E+01 volume  0.15189E-02 ppm1      1.054 ppm2      2.650 CV     1
 ASSI { 1600}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HD2 ))
      3.000     1.100     1.100 peak  1600 spectrum    1 weight  0.11000E+01 volume  0.18132E-02 ppm1      1.054 ppm2      2.780 CV     1
 ASSI { 1601}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 9    and name HB  ))
      5.100     3.300     0.900 peak  1601 spectrum    1 weight  0.11000E+01 volume  0.21169E-03 ppm1      1.330 ppm2      2.056 CV     1
 ASSI { 1602}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      2.000     0.500     0.500 peak  1602 spectrum    1 weight  0.11000E+01 volume  0.51969E-02 ppm1      1.325 ppm2      1.051 CV     1
 ASSI { 1603}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG1 ))
      2.700     0.900     0.900 peak  1603 spectrum    1 weight  0.11000E+01 volume  0.19674E-02 ppm1      1.329 ppm2      0.917 CV     1
 ASSI { 1605}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak  1605 spectrum    1 weight  0.11000E+01 volume  0.14899E-02 ppm1      1.173 ppm2      8.135 CV     1
 ASSI { 1606}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HH11))
      4.200     2.200     1.800 peak  1606 spectrum    1 weight  0.11000E+01 volume  0.89184E-03 ppm1      1.171 ppm2      7.044 CV     1
 ASSI { 1609}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 10   and name HH11))
      3.800     1.800     1.800 peak  1609 spectrum    1 weight  0.11000E+01 volume  0.19425E-02 ppm1      0.905 ppm2      7.046 CV     1
 ASSI { 1610}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HG1 ))
      2.700     0.900     0.900 peak  1610 spectrum    1 weight  0.11000E+01 volume  0.31400E-02 ppm1      2.788 ppm2      0.908 CV     1
 ASSI { 1611}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HG2 ))
      2.500     0.800     0.800 peak  1611 spectrum    1 weight  0.11000E+01 volume  0.46075E-02 ppm1      2.788 ppm2      1.160 CV     1
 ASSI { 1617}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.700     3.700     2.300 peak  1617 spectrum    1 weight  0.11000E+01 volume  0.76391E-03 ppm1      2.791 ppm2      3.845 CV     1
 ASSI { 1619}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HH21))
      4.300     4.300     1.700 peak  1619 spectrum    1 weight  0.11000E+01 volume  0.83267E-03 ppm1      2.645 ppm2      6.560 CV     1
 ASSI { 1620}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HH21))
      4.100     2.100     1.900 peak  1620 spectrum    1 weight  0.11000E+01 volume  0.12565E-02 ppm1      2.788 ppm2      6.559 CV     1
 ASSI { 1624}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HN  ))
      5.000     3.100     1.000 peak  1624 spectrum    1 weight  0.11000E+01 volume  0.24071E-03 ppm1      2.792 ppm2      8.126 CV     1
 ASSI { 1626}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      5.500     3.800     0.500 peak  1626 spectrum    1 weight  0.11000E+01 volume  0.25963E-03 ppm1      2.738 ppm2      3.902 CV     1
 ASSI { 1627}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.100     1.200     1.200 peak  1627 spectrum    1 weight  0.11000E+01 volume  0.22585E-02 ppm1      1.868 ppm2      7.895 CV     1
 ASSI { 1629}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      4.100     4.100     1.900 peak  1629 spectrum    1 weight  0.11000E+01 volume  0.94193E-03 ppm1      1.612 ppm2      8.624 CV     1
 ASSI { 1632}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 29   and name HB2 ))
      5.400     5.400     0.600 peak  1632 spectrum    1 weight  0.11000E+01 volume  0.17349E-03 ppm1      1.599 ppm2      2.942 CV     1
 ASSI { 1635}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      5.900     4.300     0.100 peak  1635 spectrum    1 weight  0.11000E+01 volume  0.49899E-03 ppm1      1.870 ppm2      2.265 CV     1
 ASSI { 1636}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      1.900     1.900     4.100 peak  1636 spectrum    1 weight  0.11000E+01 volume  0.38815E-02 ppm1      1.599 ppm2      1.873 CV     1
 ASSI { 1638}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HD1%)
      2.600     2.600     3.400 peak  1638 spectrum    1 weight  0.11000E+01 volume  0.10069E-01 ppm1      1.599 ppm2      0.930 CV     1
 ASSI { 1639}
   (( segid "    " and resid 30   and name HG  ))
   (( segid "    " and resid 29   and name HD21))
      4.400     4.400     1.600 peak  1639 spectrum    1 weight  0.11000E+01 volume  0.58647E-04 ppm1      1.648 ppm2      7.433 CV     1
 ASSI { 1640}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 11   and name HD% )
      4.500     2.500     1.500 peak  1640 spectrum    1 weight  0.11000E+01 volume  0.51536E-03 ppm1      1.637 ppm2      7.016 CV     1
 ASSI { 1641}
   (( segid "    " and resid 30   and name HG  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.600     0.800     0.800 peak  1641 spectrum    1 weight  0.11000E+01 volume  0.45624E-02 ppm1      1.659 ppm2      1.915 CV     1
 ASSI { 1642}
   (( segid "    " and resid 30   and name HG  ))
   (  segid "    " and resid 30   and name HD1%)
      2.000     0.500     0.500 peak  1642 spectrum    1 weight  0.11000E+01 volume  0.12068E-01 ppm1      1.657 ppm2      0.888 CV     1
 ASSI { 1643}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 11   and name HB2 ))
      5.000     5.000     1.000 peak  1643 spectrum    1 weight  0.11000E+01 volume  0.21904E-03 ppm1      0.935 ppm2      3.415 CV     1
 ASSI { 1645}
   (  segid "    " and resid 30   and name HD2%)
   (  segid "    " and resid 33   and name HD2%)
      2.600     2.600     3.400 peak  1645 spectrum    1 weight  0.11000E+01 volume  0.16117E-02 ppm1      0.934 ppm2      0.508 CV     1
 ASSI { 1646}
   (  segid "    " and resid 30   and name HD2%)
   (( segid "    " and resid 33   and name HB1 ))
      3.500     3.500     2.500 peak  1646 spectrum    1 weight  0.11000E+01 volume  0.23419E-03 ppm1      0.935 ppm2      0.053 CV     1
 ASSI { 1647}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 8    and name HN  ))
      5.700     4.100     0.300 peak  1647 spectrum    1 weight  0.11000E+01 volume  0.17061E-03 ppm1      0.921 ppm2      9.229 CV     1
 ASSI { 1648}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.600     2.600     1.400 peak  1648 spectrum    1 weight  0.11000E+01 volume  0.25871E-03 ppm1      1.974 ppm2      4.082 CV     1
 ASSI { 1649}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak  1649 spectrum    1 weight  0.11000E+01 volume  0.15734E-02 ppm1      1.987 ppm2      3.861 CV     1
 ASSI { 1650}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
      3.600     1.600     1.600 peak  1650 spectrum    1 weight  0.11000E+01 volume  0.83114E-03 ppm1      1.985 ppm2      2.403 CV     1
 ASSI { 1651}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HG  ))
      2.700     0.900     0.900 peak  1651 spectrum    1 weight  0.11000E+01 volume  0.13239E-02 ppm1      1.982 ppm2      1.657 CV     1
 ASSI { 1652}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB1 ))
      2.000     0.500     0.500 peak  1652 spectrum    1 weight  0.11000E+01 volume  0.38177E-02 ppm1      1.984 ppm2      1.491 CV     1
 ASSI { 1653}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HD1%)
      2.700     0.900     0.900 peak  1653 spectrum    1 weight  0.11000E+01 volume  0.33153E-02 ppm1      1.983 ppm2      0.881 CV     1
 ASSI { 1654}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      4.700     4.700     1.300 peak  1654 spectrum    1 weight  0.11000E+01 volume  0.46161E-03 ppm1      1.977 ppm2      0.516 CV     1
 ASSI { 1658}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.400     1.400 peak  1658 spectrum    1 weight  0.11000E+01 volume  0.14760E-02 ppm1      4.040 ppm2      8.750 CV     1
 ASSI { 1659}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      4.400     2.400     1.600 peak  1659 spectrum    1 weight  0.11000E+01 volume  0.37884E-03 ppm1      4.039 ppm2      7.641 CV     1
 ASSI { 1660}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak  1660 spectrum    1 weight  0.11000E+01 volume  0.87871E-03 ppm1      2.137 ppm2      8.743 CV     1
 ASSI { 1662}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      5.100     3.200     0.900 peak  1662 spectrum    1 weight  0.11000E+01 volume  0.61249E-03 ppm1      2.440 ppm2      8.297 CV     1
 ASSI { 1663}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      5.800     5.800     0.200 peak  1663 spectrum    1 weight  0.11000E+01 volume  0.22030E-03 ppm1      2.443 ppm2      8.748 CV     1
 ASSI { 1664}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 15   and name HN  ))
      5.500     3.800     0.500 peak  1664 spectrum    1 weight  0.11000E+01 volume  0.14739E-03 ppm1      2.317 ppm2      8.744 CV     1
 ASSI { 1665}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 13   and name HE22))
      4.600     2.600     1.400 peak  1665 spectrum    1 weight  0.11000E+01 volume  0.48930E-04 ppm1      2.445 ppm2      6.928 CV     1
 ASSI { 1666}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 13   and name HE22))
      5.200     3.300     0.800 peak  1666 spectrum    1 weight  0.11000E+01 volume  0.84873E-04 ppm1      2.312 ppm2      6.923 CV     1
 ASSI { 1667}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
      5.400     3.600     0.600 peak  1667 spectrum    1 weight  0.11000E+01 volume  0.21859E-03 ppm1      2.182 ppm2      8.111 CV     1
 ASSI { 1668}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 9    and name HN  ))
      4.100     2.200     1.900 peak  1668 spectrum    1 weight  0.11000E+01 volume  0.82496E-03 ppm1      2.183 ppm2      7.552 CV     1
 ASSI { 1671}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 8    and name HB1 ))
      2.400     0.700     0.700 peak  1671 spectrum    1 weight  0.11000E+01 volume  0.18932E-01 ppm1      2.184 ppm2      1.916 CV     1
 ASSI { 1672}
   (( segid "    " and resid 8    and name HG2 ))
   (  segid "    " and resid 30   and name HD1%)
      2.800     2.800     3.200 peak  1672 spectrum    1 weight  0.11000E+01 volume  0.86906E-02 ppm1      2.179 ppm2      0.902 CV     1
 ASSI { 1673}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 26   and name HD1 ))
      5.800     4.200     0.200 peak  1673 spectrum    1 weight  0.11000E+01 volume  0.72012E-04 ppm1      2.183 ppm2      3.180 CV     1
 ASSI { 1674}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      4.100     2.100     1.900 peak  1674 spectrum    1 weight  0.11000E+01 volume  0.91943E-03 ppm1      1.874 ppm2      9.231 CV     1
 ASSI { 1675}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.600     1.600 peak  1675 spectrum    1 weight  0.11000E+01 volume  0.48050E-03 ppm1      2.235 ppm2      9.222 CV     1
 ASSI { 1677}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 3    and name HN  ))
      4.000     2.000     2.000 peak  1677 spectrum    1 weight  0.11000E+01 volume  0.50246E-03 ppm1      1.886 ppm2      8.642 CV     1
 ASSI { 1678}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      4.900     4.900     1.100 peak  1678 spectrum    1 weight  0.11000E+01 volume  0.32788E-03 ppm1      1.884 ppm2      8.105 CV     1
 ASSI { 1679}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     5.800     0.000 peak  1679 spectrum    1 weight  0.11000E+01 volume  0.42014E-04 ppm1      2.238 ppm2      8.135 CV     1
 ASSI { 1680}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 11   and name HD% )
      3.000     1.200     1.200 peak  1680 spectrum    1 weight  0.11000E+01 volume  0.16774E-02 ppm1      2.238 ppm2      7.018 CV     1
 ASSI { 1681}
   (( segid "    " and resid 7    and name HB1 ))
   (  segid "    " and resid 11   and name HD% )
      3.400     1.500     1.500 peak  1681 spectrum    1 weight  0.11000E+01 volume  0.80485E-03 ppm1      1.879 ppm2      7.024 CV     1
 ASSI { 1682}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.300     1.300     1.300 peak  1682 spectrum    1 weight  0.11000E+01 volume  0.12058E-02 ppm1      2.161 ppm2      8.490 CV     1
 ASSI { 1685}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HD1 ))
      4.500     2.500     1.500 peak  1685 spectrum    1 weight  0.11000E+01 volume  0.82578E-03 ppm1      1.876 ppm2      3.512 CV     1
 ASSI { 1688}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 7    and name HD1 ))
      5.000     3.100     1.000 peak  1688 spectrum    1 weight  0.11000E+01 volume  0.27805E-03 ppm1      2.656 ppm2      3.786 CV     1
 ASSI { 1690}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
      5.000     3.200     1.000 peak  1690 spectrum    1 weight  0.11000E+01 volume  0.12853E-03 ppm1      2.657 ppm2      4.683 CV     1
 ASSI { 1692}
   (( segid "    " and resid 6    and name HG2 ))
   (  segid "    " and resid 9    and name HG2%)
      4.600     2.700     1.400 peak  1692 spectrum    1 weight  0.11000E+01 volume  0.47158E-03 ppm1      2.651 ppm2      0.887 CV     1
 ASSI { 1693}
   (( segid "    " and resid 6    and name HG1 ))
   (  segid "    " and resid 9    and name HG2%)
      4.800     2.800     1.200 peak  1693 spectrum    1 weight  0.11000E+01 volume  0.60004E-03 ppm1      2.549 ppm2      0.886 CV     1
 ASSI { 1695}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HB1 ))
      3.200     1.300     1.300 peak  1695 spectrum    1 weight  0.11000E+01 volume  0.24244E-02 ppm1      2.545 ppm2      1.967 CV     1
 ASSI { 1696}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.100     1.200     1.200 peak  1696 spectrum    1 weight  0.11000E+01 volume  0.27041E-02 ppm1      2.652 ppm2      2.150 CV     1
 ASSI { 1697}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.500     0.800     0.800 peak  1697 spectrum    1 weight  0.11000E+01 volume  0.42174E-02 ppm1      2.549 ppm2      2.140 CV     1
 ASSI { 1698}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.400     1.400 peak  1698 spectrum    1 weight  0.11000E+01 volume  0.67905E-03 ppm1      3.793 ppm2      9.217 CV     1
 ASSI { 1699}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.000     1.100     1.100 peak  1699 spectrum    1 weight  0.11000E+01 volume  0.12450E-02 ppm1      3.789 ppm2      8.501 CV     1
 ASSI { 1700}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     5.500     0.000 peak  1700 spectrum    1 weight  0.11000E+01 volume  0.37509E-04 ppm1      3.785 ppm2      8.098 CV     1
 ASSI { 1701}
   (( segid "    " and resid 7    and name HD2 ))
   (  segid "    " and resid 11   and name HD% )
      5.800     4.300     0.200 peak  1701 spectrum    1 weight  0.11000E+01 volume  0.81910E-04 ppm1      3.787 ppm2      7.015 CV     1
 ASSI { 1702}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.300     1.300     1.300 peak  1702 spectrum    1 weight  0.11000E+01 volume  0.12214E-02 ppm1      3.798 ppm2      4.683 CV     1
 ASSI { 1703}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 5    and name HA  ))
      3.900     1.900     1.900 peak  1703 spectrum    1 weight  0.11000E+01 volume  0.32463E-03 ppm1      3.804 ppm2      4.366 CV     1
 ASSI { 1704}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 6    and name HG1 ))
      3.900     1.900     1.900 peak  1704 spectrum    1 weight  0.11000E+01 volume  0.99032E-03 ppm1      3.797 ppm2      2.552 CV     1
 ASSI { 1705}
   (( segid "    " and resid 7    and name HD2 ))
   (  segid "    " and resid 9    and name HG2%)
      3.300     3.300     2.700 peak  1705 spectrum    1 weight  0.11000E+01 volume  0.26683E-02 ppm1      3.797 ppm2      0.889 CV     1
 ASSI { 1707}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HE22))
      4.400     2.400     1.600 peak  1707 spectrum    1 weight  0.11000E+01 volume  0.11189E-02 ppm1      2.051 ppm2      6.888 CV     1
 ASSI { 1709}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HB1 ))
      1.700     0.300     0.500 peak  1709 spectrum    1 weight  0.11000E+01 volume  0.23131E-01 ppm1      2.259 ppm2      1.900 CV     1
 ASSI { 1710}
   (( segid "    " and resid 2    and name HB1 ))
   (  segid "    " and resid 3    and name HD1%)
      3.500     3.500     2.500 peak  1710 spectrum    1 weight  0.11000E+01 volume  0.25405E-02 ppm1      1.878 ppm2      0.890 CV     1
 ASSI { 1711}
   (( segid "    " and resid 2    and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
      3.400     3.400     2.600 peak  1711 spectrum    1 weight  0.11000E+01 volume  0.31080E-02 ppm1      2.246 ppm2      0.891 CV     1
 ASSI { 1713}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.000     1.200     1.200 peak  1713 spectrum    1 weight  0.11000E+01 volume  0.41494E-02 ppm1      1.923 ppm2      7.558 CV     1
 ASSI { 1714}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 9    and name HG2%)
      2.800     2.800     3.200 peak  1714 spectrum    1 weight  0.11000E+01 volume  0.63400E-02 ppm1      1.923 ppm2      0.916 CV     1
 ASSI { 1715}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.400     1.400 peak  1715 spectrum    1 weight  0.11000E+01 volume  0.87998E-03 ppm1      3.883 ppm2      7.535 CV     1
 ASSI { 1719}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.700     1.700     1.700 peak  1719 spectrum    1 weight  0.11000E+01 volume  0.76233E-03 ppm1      3.889 ppm2      8.137 CV     1
 ASSI { 1721}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 8    and name HN  ))
      5.100     3.300     0.900 peak  1721 spectrum    1 weight  0.11000E+01 volume  0.21723E-03 ppm1      2.094 ppm2      9.245 CV     1
 ASSI { 1722}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 8    and name HN  ))
      4.700     2.700     1.300 peak  1722 spectrum    1 weight  0.11000E+01 volume  0.52740E-03 ppm1      2.009 ppm2      9.224 CV     1
 ASSI { 1723}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 3    and name HN  ))
      3.600     3.600     2.400 peak  1723 spectrum    1 weight  0.11000E+01 volume  0.20069E-03 ppm1      3.519 ppm2      8.623 CV     1
 ASSI { 1724}
   (( segid "    " and resid 2    and name HD1 ))
   (( segid "    " and resid 2    and name HA  ))
      4.400     2.400     1.600 peak  1724 spectrum    1 weight  0.11000E+01 volume  0.31089E-03 ppm1      3.514 ppm2      4.408 CV     1
 ASSI { 1725}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 1    and name HA2 ))
      2.600     0.800     0.800 peak  1725 spectrum    1 weight  0.11000E+01 volume  0.70696E-02 ppm1      3.518 ppm2      3.940 CV     1
 ASSI { 1728}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 3    and name HN  ))
      3.500     1.600     1.600 peak  1728 spectrum    1 weight  0.11000E+01 volume  0.22584E-03 ppm1      1.954 ppm2      8.649 CV     1
 ASSI { 1729}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HD1 ))
      2.300     0.600     0.600 peak  1729 spectrum    1 weight  0.11000E+01 volume  0.88498E-02 ppm1      4.681 ppm2      3.791 CV     1
 ASSI { 1730}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      4.900     3.000     1.100 peak  1730 spectrum    1 weight  0.11000E+01 volume  0.13116E-03 ppm1      4.681 ppm2      0.883 CV     1
 ASSI { 1731}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      4.700     2.800     1.300 peak  1731 spectrum    1 weight  0.11000E+01 volume  0.29388E-03 ppm1      2.166 ppm2      9.211 CV     1
 ASSI { 1732}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     6.000     0.000 peak  1732 spectrum    1 weight  0.11000E+01 volume  0.28854E-04 ppm1      1.962 ppm2      9.223 CV     1
 ASSI { 1736}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HD1 ))
      3.500     1.500     1.500 peak  1736 spectrum    1 weight  0.11000E+01 volume  0.19475E-02 ppm1      2.167 ppm2      3.805 CV     1
 ASSI { 1737}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 7    and name HD1 ))
      4.400     2.400     1.600 peak  1737 spectrum    1 weight  0.11000E+01 volume  0.67174E-03 ppm1      1.957 ppm2      3.792 CV     1
 ASSI { 1739}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HG2 ))
      2.500     0.800     0.800 peak  1739 spectrum    1 weight  0.11000E+01 volume  0.40740E-02 ppm1      1.957 ppm2      2.661 CV     1
 ASSI { 1740}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.100     0.500     0.500 peak  1740 spectrum    1 weight  0.11000E+01 volume  0.46021E-02 ppm1      1.953 ppm2      2.168 CV     1
 ASSI { 1742}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 6    and name HA  ))
      6.000     4.700     0.000 peak  1742 spectrum    1 weight  0.11000E+01 volume  0.14178E-03 ppm1      2.064 ppm2      4.681 CV     1
 ASSI { 1743}
   (  segid "    " and resid 6    and name HE% )
   (  segid "    " and resid 9    and name HG2%)
      3.200     1.300     1.300 peak  1743 spectrum    1 weight  0.11000E+01 volume  0.31645E-02 ppm1      2.065 ppm2      0.887 CV     1
 ASSI { 1744}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 6    and name HG2 ))
      5.300     3.500     0.700 peak  1744 spectrum    1 weight  0.11000E+01 volume  0.13228E-03 ppm1      2.063 ppm2      2.676 CV     1
 ASSI { 1745}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 6    and name HG1 ))
      5.200     3.400     0.800 peak  1745 spectrum    1 weight  0.11000E+01 volume  0.89148E-04 ppm1      2.064 ppm2      2.599 CV     1
 ASSI { 1746}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 3    and name HA  ))
      3.700     3.700     2.300 peak  1746 spectrum    1 weight  0.11000E+01 volume  0.18235E-03 ppm1      2.065 ppm2      4.227 CV     1
 ASSI { 1751}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 8    and name HN  ))
      6.000     6.000     0.000 peak  1751 spectrum    1 weight  0.11000E+01 volume  0.73406E-04 ppm1      2.065 ppm2      9.241 CV     1
 ASSI { 1753}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 6    and name HN  ))
      5.000     3.200     1.000 peak  1753 spectrum    1 weight  0.11000E+01 volume  0.20978E-03 ppm1      2.064 ppm2      8.509 CV     1
 ASSI { 1754}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 5    and name HN  ))
      6.000     6.000     0.000 peak  1754 spectrum    1 weight  0.11000E+01 volume  0.27758E-04 ppm1      2.065 ppm2      8.087 CV     1
 ASSI { 1756}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 10   and name HH11))
      5.700     4.100     0.300 peak  1756 spectrum    1 weight  0.11000E+01 volume  0.59369E-04 ppm1      2.065 ppm2      7.017 CV     1
 ASSI { 1758}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.300     0.700     0.700 peak  1758 spectrum    1 weight  0.11000E+01 volume  0.87001E-02 ppm1      3.781 ppm2      4.371 CV     1
 ASSI { 1759}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HG2 ))
      4.300     2.300     1.700 peak  1759 spectrum    1 weight  0.11000E+01 volume  0.30837E-03 ppm1      3.784 ppm2      2.646 CV     1
 ASSI { 1760}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 7    and name HG2 ))
      3.300     3.300     2.700 peak  1760 spectrum    1 weight  0.11000E+01 volume  0.31129E-02 ppm1      3.781 ppm2      2.082 CV     1
 ASSI { 1762}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 21   and name HG1 ))
      5.000     3.100     1.000 peak  1762 spectrum    1 weight  0.11000E+01 volume  0.32666E-03 ppm1      4.376 ppm2      2.631 CV     1
 ASSI { 1763}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HB1 ))
      4.200     2.200     1.800 peak  1763 spectrum    1 weight  0.11000E+01 volume  0.93210E-03 ppm1      4.372 ppm2      1.950 CV     1
 ASSI { 1764}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 3    and name HD2%)
      3.200     3.200     2.800 peak  1764 spectrum    1 weight  0.11000E+01 volume  0.41340E-03 ppm1      4.367 ppm2      0.875 CV     1
 ASSI { 1766}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 7    and name HG1 ))
      3.500     3.500     2.500 peak  1766 spectrum    1 weight  0.11000E+01 volume  0.12137E-02 ppm1      3.879 ppm2      2.070 CV     1
 ASSI { 1767}
   (( segid "    " and resid 4    and name HA1 ))
   (( segid "    " and resid 6    and name HB1 ))
      4.000     2.000     2.000 peak  1767 spectrum    1 weight  0.11000E+01 volume  0.11110E-02 ppm1      3.878 ppm2      1.951 CV     1
 ASSI { 1768}
   (( segid "    " and resid 4    and name HA2 ))
   (( segid "    " and resid 3    and name HB2 ))
      3.700     1.700     1.700 peak  1768 spectrum    1 weight  0.11000E+01 volume  0.10662E-02 ppm1      3.876 ppm2      1.608 CV     1
 ASSI { 1770}
   (( segid "    " and resid 4    and name HA2 ))
   (  segid "    " and resid 3    and name HD1%)
      2.300     2.300     3.700 peak  1770 spectrum    1 weight  0.11000E+01 volume  0.31877E-02 ppm1      3.879 ppm2      0.865 CV     1
 ASSI { 1772}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 6    and name HG1 ))
      4.100     2.100     1.900 peak  1772 spectrum    1 weight  0.11000E+01 volume  0.44608E-03 ppm1      4.256 ppm2      2.586 CV     1
 ASSI { 1773}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 2    and name HB1 ))
      2.700     2.700     3.300 peak  1773 spectrum    1 weight  0.11000E+01 volume  0.11620E-02 ppm1      4.260 ppm2      1.913 CV     1
 ASSI { 1777}
   (( segid "    " and resid 3    and name HG  ))
   (  segid "    " and resid 3    and name HD2%)
      2.100     0.500     0.500 peak  1777 spectrum    1 weight  0.11000E+01 volume  0.16346E-01 ppm1      1.627 ppm2      0.828 CV     1
 ASSI { 1779}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      3.200     3.200     2.800 peak  1779 spectrum    1 weight  0.11000E+01 volume  0.38555E-03 ppm1      0.884 ppm2      8.425 CV     1
 ASSI { 1783}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 3    and name HN  ))
      4.600     2.700     1.400 peak  1783 spectrum    1 weight  0.11000E+01 volume  0.34693E-03 ppm1      0.838 ppm2      8.648 CV     1
 ASSI { 1784}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 4    and name HN  ))
      4.200     4.200     1.800 peak  1784 spectrum    1 weight  0.11000E+01 volume  0.87402E-04 ppm1      0.839 ppm2      8.510 CV     1
 ASSI { 1786}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HA1 ))
      6.000     4.500     0.000 peak  1786 spectrum    1 weight  0.11000E+01 volume  0.11438E-03 ppm1      4.349 ppm2      3.454 CV     1
 ASSI { 1787}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      2.500     0.800     0.800 peak  1787 spectrum    1 weight  0.11000E+01 volume  0.87154E-02 ppm1      1.953 ppm2      4.029 CV     1
 ASSI { 1788}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
      3.400     1.500     1.500 peak  1788 spectrum    1 weight  0.11000E+01 volume  0.31433E-02 ppm1      2.214 ppm2      0.801 CV     1
 ASSI { 1789}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 40   and name HD1%)
      2.300     0.700     0.700 peak  1789 spectrum    1 weight  0.11000E+01 volume  0.52744E-02 ppm1      1.945 ppm2      0.801 CV     1
 ASSI { 1790}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HD2%)
      4.600     2.700     1.400 peak  1790 spectrum    1 weight  0.11000E+01 volume  0.38619E-03 ppm1      1.950 ppm2      0.504 CV     1
 ASSI { 1791}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HD2%)
      5.500     5.500     0.500 peak  1791 spectrum    1 weight  0.11000E+01 volume  0.39353E-03 ppm1      2.221 ppm2      0.501 CV     1
 ASSI { 1792}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     6.000     0.000 peak  1792 spectrum    1 weight  0.11000E+01 volume  0.29549E-04 ppm1      3.407 ppm2      0.196 CV     1
 ASSI {    1}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.300     0.700     0.700 peak     1 spectrum    1 weight  0.11000E+01 volume  0.63977E-02 ppm1      8.924 ppm2      4.554 CV     1
 ASSI {    1}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.11000E+01 volume  0.10630E-03 ppm1      8.925 ppm2      4.359 CV     1
 ASSI {    2}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HA2 ))
      4.700     2.700     1.300 peak     2 spectrum    1 weight  0.11000E+01 volume  0.13075E-03 ppm1      8.924 ppm2      4.014 CV     1
 ASSI {    4}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.900     1.100     1.100 peak     4 spectrum    1 weight  0.11000E+01 volume  0.14557E-02 ppm1      8.924 ppm2      3.560 CV     1
 ASSI {    5}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      4.500     2.500     1.500 peak     5 spectrum    1 weight  0.11000E+01 volume  0.83416E-03 ppm1      8.924 ppm2      2.855 CV     1
 ASSI {    6}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.600     1.600     1.600 peak     6 spectrum    1 weight  0.11000E+01 volume  0.14569E-02 ppm1      8.924 ppm2      2.639 CV     1
 ASSI {    7}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB  ))
      2.400     0.700     0.700 peak     7 spectrum    1 weight  0.11000E+01 volume  0.30950E-02 ppm1      8.924 ppm2      1.707 CV     1
 ASSI {    9}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG11))
      4.500     2.500     1.500 peak     9 spectrum    1 weight  0.11000E+01 volume  0.63165E-03 ppm1      8.924 ppm2      1.179 CV     1
 ASSI {   10}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      3.000     1.100     1.100 peak    10 spectrum    1 weight  0.11000E+01 volume  0.31330E-02 ppm1      8.924 ppm2      0.860 CV     1
 ASSI {   11}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      6.000     5.000     0.000 peak    11 spectrum    1 weight  0.11000E+01 volume  0.35485E-04 ppm1      8.924 ppm2      0.536 CV     1
 ASSI {   12}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      5.100     3.300     0.900 peak    12 spectrum    1 weight  0.11000E+01 volume  0.30678E-03 ppm1      8.924 ppm2      0.238 CV     1
 ASSI {   13}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.900     0.900 peak    13 spectrum    1 weight  0.11000E+01 volume  0.28716E-02 ppm1      8.407 ppm2      4.808 CV     1
 ASSI {   14}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      6.000     6.000     0.000 peak    14 spectrum    1 weight  0.11000E+01 volume  0.78456E-04 ppm1      8.405 ppm2      3.998 CV     1
 ASSI {   15}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.200     1.300     1.300 peak    15 spectrum    1 weight  0.11000E+01 volume  0.96457E-03 ppm1      8.408 ppm2      3.809 CV     1
 ASSI {   16}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.000     3.100     1.000 peak    16 spectrum    1 weight  0.11000E+01 volume  0.34282E-03 ppm1      8.406 ppm2      3.368 CV     1
 ASSI {   17}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HD1 ))
      4.700     2.800     1.300 peak    17 spectrum    1 weight  0.11000E+01 volume  0.44846E-03 ppm1      8.408 ppm2      3.205 CV     1
 ASSI {   18}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.500     2.500     1.500 peak    18 spectrum    1 weight  0.11000E+01 volume  0.42799E-03 ppm1      8.410 ppm2      2.630 CV     1
 ASSI {   19}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      6.000     6.000     0.000 peak    19 spectrum    1 weight  0.11000E+01 volume  0.89436E-05 ppm1      8.406 ppm2      2.299 CV     1
 ASSI {   20}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.600     0.800     0.800 peak    20 spectrum    1 weight  0.11000E+01 volume  0.24374E-02 ppm1      8.408 ppm2      1.884 CV     1
 ASSI {   21}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.500     1.500     1.500 peak    21 spectrum    1 weight  0.11000E+01 volume  0.33932E-02 ppm1      8.408 ppm2      1.765 CV     1
 ASSI {   23}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 28   and name HB% )
      6.000     6.000     0.000 peak    23 spectrum    1 weight  0.11000E+01 volume  0.31017E-04 ppm1      8.404 ppm2      1.311 CV     1
 ASSI {   24}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
      6.000     6.000     0.000 peak    24 spectrum    1 weight  0.11000E+01 volume  0.13869E-03 ppm1      8.406 ppm2      0.850 CV     1
 ASSI {   25}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.200     1.200 peak    25 spectrum    1 weight  0.11000E+01 volume  0.16762E-02 ppm1      9.097 ppm2      4.811 CV     1
 ASSI {   26}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      4.300     2.300     1.700 peak    26 spectrum    1 weight  0.11000E+01 volume  0.65411E-03 ppm1      9.100 ppm2      4.649 CV     1
 ASSI {   27}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.700     0.900     0.900 peak    27 spectrum    1 weight  0.11000E+01 volume  0.25577E-02 ppm1      9.099 ppm2      3.368 CV     1
 ASSI {   28}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 28   and name HB% )
      4.300     2.300     1.700 peak    28 spectrum    1 weight  0.11000E+01 volume  0.96958E-03 ppm1      9.101 ppm2      1.308 CV     1
 ASSI {   29}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.500     1.500     1.500 peak    29 spectrum    1 weight  0.11000E+01 volume  0.87254E-03 ppm1      9.098 ppm2      4.447 CV     1
 ASSI {   31}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      6.000     5.000     0.000 peak    31 spectrum    1 weight  0.11000E+01 volume  0.28832E-04 ppm1      9.095 ppm2      3.816 CV     1
 ASSI {   32}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.000     1.200     1.200 peak    32 spectrum    1 weight  0.11000E+01 volume  0.24271E-02 ppm1      9.099 ppm2      2.630 CV     1
 ASSI {   33}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      4.500     2.500     1.500 peak    33 spectrum    1 weight  0.11000E+01 volume  0.36299E-03 ppm1      9.098 ppm2      2.243 CV     1
 ASSI {   34}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      6.000     6.000     0.000 peak    34 spectrum    1 weight  0.11000E+01 volume  0.51969E-04 ppm1      9.096 ppm2      1.896 CV     1
 ASSI {   35}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
      6.000     5.700     0.000 peak    35 spectrum    1 weight  0.11000E+01 volume  0.27525E-04 ppm1      9.094 ppm2      1.768 CV     1
 ASSI {   36}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG12))
      3.600     1.600     1.600 peak    36 spectrum    1 weight  0.11000E+01 volume  0.16257E-02 ppm1      9.098 ppm2      1.181 CV     1
 ASSI {   37}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      4.800     2.800     1.200 peak    37 spectrum    1 weight  0.11000E+01 volume  0.10066E-02 ppm1      9.098 ppm2      0.837 CV     1
 ASSI {   38}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      4.000     2.000     2.000 peak    38 spectrum    1 weight  0.11000E+01 volume  0.47203E-03 ppm1      8.368 ppm2      4.636 CV     1
 ASSI {   40}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
      3.300     1.400     1.400 peak    40 spectrum    1 weight  0.11000E+01 volume  0.10340E-02 ppm1      8.369 ppm2      3.866 CV     1
 ASSI {   41}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak    41 spectrum    1 weight  0.11000E+01 volume  0.30890E-02 ppm1      8.369 ppm2      3.641 CV     1
 ASSI {   42}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.800     2.900     1.200 peak    42 spectrum    1 weight  0.11000E+01 volume  0.42284E-03 ppm1      8.369 ppm2      2.859 CV     1
 ASSI {   43}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      5.700     4.100     0.300 peak    43 spectrum    1 weight  0.11000E+01 volume  0.22993E-03 ppm1      8.368 ppm2      2.662 CV     1
 ASSI {   44}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      6.000     6.000     0.000 peak    44 spectrum    1 weight  0.11000E+01 volume  0.19315E-04 ppm1      8.368 ppm2      2.043 CV     1
 ASSI {   45}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      4.500     2.600     1.500 peak    45 spectrum    1 weight  0.11000E+01 volume  0.59824E-03 ppm1      8.370 ppm2      1.753 CV     1
 ASSI {   46}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HG12))
      5.700     4.100     0.300 peak    46 spectrum    1 weight  0.11000E+01 volume  0.24051E-03 ppm1      8.365 ppm2      1.585 CV     1
 ASSI {   47}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      3.300     1.300     1.300 peak    47 spectrum    1 weight  0.11000E+01 volume  0.26799E-02 ppm1      8.369 ppm2      1.391 CV     1
 ASSI {   48}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HB% )
      2.300     2.300     3.700 peak    48 spectrum    1 weight  0.11000E+01 volume  0.57213E-02 ppm1      8.370 ppm2      1.133 CV     1
 ASSI {   50}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.600     1.600     1.600 peak    50 spectrum    1 weight  0.11000E+01 volume  0.88088E-03 ppm1      8.369 ppm2      0.842 CV     1
 ASSI {   51}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      5.200     5.200     0.800 peak    51 spectrum    1 weight  0.11000E+01 volume  0.27816E-03 ppm1      8.370 ppm2      0.537 CV     1
 ASSI {   53}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak    53 spectrum    1 weight  0.11000E+01 volume  0.54282E-02 ppm1      8.319 ppm2      4.365 CV     1
 ASSI {   54}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      4.800     2.900     1.200 peak    54 spectrum    1 weight  0.11000E+01 volume  0.40376E-03 ppm1      8.318 ppm2      2.384 CV     1
 ASSI {   55}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.900     3.000     1.100 peak    55 spectrum    1 weight  0.11000E+01 volume  0.40829E-03 ppm1      8.319 ppm2      2.159 CV     1
 ASSI {   56}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.000     3.100     1.000 peak    56 spectrum    1 weight  0.11000E+01 volume  0.47690E-03 ppm1      8.319 ppm2      2.010 CV     1
 ASSI {   57}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      2.700     0.900     0.900 peak    57 spectrum    1 weight  0.11000E+01 volume  0.44758E-02 ppm1      8.319 ppm2      1.646 CV     1
 ASSI {   58}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      3.700     1.700     1.700 peak    58 spectrum    1 weight  0.11000E+01 volume  0.81049E-03 ppm1      8.320 ppm2      0.882 CV     1
 ASSI {   59}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
      4.200     2.200     1.800 peak    59 spectrum    1 weight  0.11000E+01 volume  0.68053E-03 ppm1      8.118 ppm2      3.865 CV     1
 ASSI {   64}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.900     3.900     2.100 peak    64 spectrum    1 weight  0.11000E+01 volume  0.48321E-03 ppm1      8.716 ppm2      1.670 CV     1
 ASSI {   66}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      5.100     3.300     0.900 peak    66 spectrum    1 weight  0.11000E+01 volume  0.20208E-03 ppm1      8.369 ppm2      2.994 CV     1
 ASSI {   69}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      4.600     2.600     1.400 peak    69 spectrum    1 weight  0.11000E+01 volume  0.56257E-03 ppm1      8.115 ppm2      3.606 CV     1
 ASSI {   70}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.600     0.900     0.900 peak    70 spectrum    1 weight  0.11000E+01 volume  0.28335E-02 ppm1      8.115 ppm2      2.859 CV     1
 ASSI {   71}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.300     1.300     1.300 peak    71 spectrum    1 weight  0.11000E+01 volume  0.46544E-02 ppm1      8.112 ppm2      2.710 CV     1
 ASSI {   73}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HB  ))
      4.900     3.100     1.100 peak    73 spectrum    1 weight  0.11000E+01 volume  0.29287E-03 ppm1      8.114 ppm2      1.724 CV     1
 ASSI {   74}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      2.400     0.700     0.700 peak    74 spectrum    1 weight  0.11000E+01 volume  0.57678E-02 ppm1      8.115 ppm2      1.419 CV     1
 ASSI {   75}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 43   and name HB% )
      4.300     2.300     1.700 peak    75 spectrum    1 weight  0.11000E+01 volume  0.83200E-03 ppm1      8.115 ppm2      1.135 CV     1
 ASSI {   76}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      4.600     2.600     1.400 peak    76 spectrum    1 weight  0.11000E+01 volume  0.57989E-03 ppm1      8.114 ppm2      0.981 CV     1
 ASSI {   77}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      4.400     2.400     1.600 peak    77 spectrum    1 weight  0.11000E+01 volume  0.77049E-03 ppm1      8.115 ppm2      0.856 CV     1
 ASSI {   78}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HG11))
      5.600     3.900     0.400 peak    78 spectrum    1 weight  0.11000E+01 volume  0.86803E-04 ppm1      8.113 ppm2      0.267 CV     1
 ASSI {   79}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      5.600     4.000     0.400 peak    79 spectrum    1 weight  0.11000E+01 volume  0.80670E-04 ppm1      7.638 ppm2      2.981 CV     1
 ASSI {   80}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      5.200     3.400     0.800 peak    80 spectrum    1 weight  0.11000E+01 volume  0.14910E-03 ppm1      7.635 ppm2      4.811 CV     1
 ASSI {   81}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.600     0.900     0.900 peak    81 spectrum    1 weight  0.11000E+01 volume  0.37722E-02 ppm1      7.638 ppm2      4.012 CV     1
 ASSI {   82}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.500     1.500     1.500 peak    82 spectrum    1 weight  0.11000E+01 volume  0.96737E-03 ppm1      7.637 ppm2      3.830 CV     1
 ASSI {   83}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.600     2.600     1.400 peak    83 spectrum    1 weight  0.11000E+01 volume  0.58110E-03 ppm1      7.637 ppm2      3.370 CV     1
 ASSI {   84}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.000     2.000     2.000 peak    84 spectrum    1 weight  0.11000E+01 volume  0.28976E-03 ppm1      7.635 ppm2      2.630 CV     1
 ASSI {   87}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.300     1.400     1.400 peak    87 spectrum    1 weight  0.11000E+01 volume  0.38173E-02 ppm1      7.638 ppm2      2.012 CV     1
 ASSI {   88}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      4.600     2.600     1.400 peak    88 spectrum    1 weight  0.11000E+01 volume  0.31653E-03 ppm1      7.638 ppm2      1.753 CV     1
 ASSI {   89}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HB% )
      2.400     0.700     0.700 peak    89 spectrum    1 weight  0.11000E+01 volume  0.60054E-02 ppm1      7.637 ppm2      1.320 CV     1
 ASSI {   90}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 30   and name HD1%)
      5.800     5.800     0.200 peak    90 spectrum    1 weight  0.11000E+01 volume  0.71945E-04 ppm1      7.637 ppm2      0.952 CV     1
 ASSI {   91}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 47   and name HD1%)
      5.000     3.200     1.000 peak    91 spectrum    1 weight  0.11000E+01 volume  0.34055E-03 ppm1      7.635 ppm2      0.764 CV     1
 ASSI {   96}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.900     1.100     1.100 peak    96 spectrum    1 weight  0.11000E+01 volume  0.21127E-02 ppm1      8.670 ppm2      4.298 CV     1
 ASSI {   97}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HA2 ))
      4.400     2.500     1.600 peak    97 spectrum    1 weight  0.11000E+01 volume  0.31994E-03 ppm1      8.669 ppm2      3.939 CV     1
 ASSI {   99}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.900     1.900     1.900 peak    99 spectrum    1 weight  0.11000E+01 volume  0.77460E-03 ppm1      8.669 ppm2      2.297 CV     1
 ASSI {  100}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HG  ))
      2.400     0.700     0.700 peak   100 spectrum    1 weight  0.11000E+01 volume  0.72986E-02 ppm1      8.667 ppm2      1.654 CV     1
 ASSI {  101}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
      3.700     1.700     1.700 peak   101 spectrum    1 weight  0.11000E+01 volume  0.93440E-03 ppm1      8.669 ppm2      0.899 CV     1
 ASSI {  104}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak   104 spectrum    1 weight  0.11000E+01 volume  0.37742E-02 ppm1      8.526 ppm2      3.822 CV     1
 ASSI {  105}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.100     1.200     1.200 peak   105 spectrum    1 weight  0.11000E+01 volume  0.31446E-02 ppm1      8.526 ppm2      2.666 CV     1
 ASSI {  106}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      2.800     1.000     1.000 peak   106 spectrum    1 weight  0.11000E+01 volume  0.27206E-02 ppm1      8.526 ppm2      2.593 CV     1
 ASSI {  108}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.800     1.000     1.000 peak   108 spectrum    1 weight  0.11000E+01 volume  0.54124E-02 ppm1      8.526 ppm2      1.997 CV     1
 ASSI {  109}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      4.200     2.200     1.800 peak   109 spectrum    1 weight  0.11000E+01 volume  0.10374E-02 ppm1      8.525 ppm2      0.916 CV     1
 ASSI {  111}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      4.600     2.600     1.400 peak   111 spectrum    1 weight  0.11000E+01 volume  0.48776E-03 ppm1      7.894 ppm2      0.534 CV     1
 ASSI {  112}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 47   and name HD2%)
      5.600     5.600     0.400 peak   112 spectrum    1 weight  0.11000E+01 volume  0.22656E-03 ppm1      7.887 ppm2      0.264 CV     1
 ASSI {  113}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.000     1.100     1.100 peak   113 spectrum    1 weight  0.11000E+01 volume  0.14878E-02 ppm1      7.894 ppm2      4.649 CV     1
 ASSI {  114}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.700     1.700     1.700 peak   114 spectrum    1 weight  0.11000E+01 volume  0.20137E-02 ppm1      7.892 ppm2      4.391 CV     1
 ASSI {  115}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      3.300     1.400     1.400 peak   115 spectrum    1 weight  0.11000E+01 volume  0.19913E-02 ppm1      7.893 ppm2      4.111 CV     1
 ASSI {  116}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
      2.900     1.100     1.100 peak   116 spectrum    1 weight  0.11000E+01 volume  0.32304E-02 ppm1      7.894 ppm2      3.491 CV     1
 ASSI {  117}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.400     1.400     1.400 peak   117 spectrum    1 weight  0.11000E+01 volume  0.32098E-02 ppm1      7.893 ppm2      2.777 CV     1
 ASSI {  118}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      4.600     2.600     1.400 peak   118 spectrum    1 weight  0.11000E+01 volume  0.53529E-03 ppm1      7.894 ppm2      2.556 CV     1
 ASSI {  119}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      4.700     2.800     1.300 peak   119 spectrum    1 weight  0.11000E+01 volume  0.49692E-03 ppm1      7.891 ppm2      2.353 CV     1
 ASSI {  120}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      5.400     3.600     0.600 peak   120 spectrum    1 weight  0.11000E+01 volume  0.33598E-03 ppm1      7.893 ppm2      1.911 CV     1
 ASSI {  122}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HG12))
      6.000     5.200     0.000 peak   122 spectrum    1 weight  0.11000E+01 volume  0.78921E-04 ppm1      7.890 ppm2      1.195 CV     1
 ASSI {  123}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.900     3.900     2.100 peak   123 spectrum    1 weight  0.11000E+01 volume  0.73604E-03 ppm1      7.895 ppm2      0.812 CV     1
 ASSI {  124}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      5.200     3.400     0.800 peak   124 spectrum    1 weight  0.11000E+01 volume  0.24586E-03 ppm1      8.389 ppm2      4.288 CV     1
 ASSI {  128}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.11000E+01 volume  0.51676E-02 ppm1      8.389 ppm2      1.556 CV     1
 ASSI {  129}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG  ))
      2.300     0.600     0.600 peak   129 spectrum    1 weight  0.11000E+01 volume  0.48240E-02 ppm1      8.387 ppm2      1.389 CV     1
 ASSI {  130}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.300     1.300     1.300 peak   130 spectrum    1 weight  0.11000E+01 volume  0.35862E-02 ppm1      8.389 ppm2      1.227 CV     1
 ASSI {  132}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 47   and name HD2%)
      3.800     1.800     1.800 peak   132 spectrum    1 weight  0.11000E+01 volume  0.17572E-02 ppm1      8.389 ppm2      0.277 CV     1
 ASSI {  133}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      4.600     2.700     1.400 peak   133 spectrum    1 weight  0.11000E+01 volume  0.25714E-03 ppm1      8.388 ppm2      3.656 CV     1
 ASSI {  134}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     6.000     0.000 peak   134 spectrum    1 weight  0.11000E+01 volume  0.68793E-04 ppm1      8.388 ppm2      0.535 CV     1
 ASSI {  136}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
      5.200     3.400     0.800 peak   136 spectrum    1 weight  0.11000E+01 volume  0.15655E-03 ppm1      8.157 ppm2      2.699 CV     1
 ASSI {  141}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
      3.300     1.400     1.400 peak   141 spectrum    1 weight  0.11000E+01 volume  0.22660E-02 ppm1      8.156 ppm2      0.917 CV     1
 ASSI {  142}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 48   and name HD2%)
      4.500     2.600     1.500 peak   142 spectrum    1 weight  0.11000E+01 volume  0.44612E-03 ppm1      8.390 ppm2      0.992 CV     1
 ASSI {  144}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.500     2.600     1.500 peak   144 spectrum    1 weight  0.11000E+01 volume  0.46824E-03 ppm1      8.080 ppm2      1.663 CV     1
 ASSI {  145}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 43   and name HB% )
      4.700     2.800     1.300 peak   145 spectrum    1 weight  0.11000E+01 volume  0.49949E-03 ppm1      8.082 ppm2      1.131 CV     1
 ASSI {  146}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
      2.900     2.900     3.100 peak   146 spectrum    1 weight  0.11000E+01 volume  0.80418E-03 ppm1      8.080 ppm2      0.931 CV     1
 ASSI {  147}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      5.700     5.700     0.300 peak   147 spectrum    1 weight  0.11000E+01 volume  0.29122E-03 ppm1      8.082 ppm2      0.545 CV     1
 ASSI {  148}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.800     0.800 peak   148 spectrum    1 weight  0.11000E+01 volume  0.43161E-02 ppm1      8.081 ppm2      4.002 CV     1
 ASSI {  149}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     4.600     0.000 peak   149 spectrum    1 weight  0.11000E+01 volume  0.31942E-03 ppm1      8.081 ppm2      3.637 CV     1
 ASSI {  150}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG2 ))
      4.000     2.000     2.000 peak   150 spectrum    1 weight  0.11000E+01 volume  0.65785E-03 ppm1      8.081 ppm2      2.484 CV     1
 ASSI {  152}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.900     1.900     1.900 peak   152 spectrum    1 weight  0.11000E+01 volume  0.87384E-03 ppm1      8.081 ppm2      1.901 CV     1
 ASSI {  154}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 47   and name HD1%)
      3.400     1.400     1.400 peak   154 spectrum    1 weight  0.11000E+01 volume  0.20257E-02 ppm1      8.081 ppm2      0.770 CV     1
 ASSI {  155}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.400     2.400     1.600 peak   155 spectrum    1 weight  0.11000E+01 volume  0.43703E-03 ppm1      8.081 ppm2      0.262 CV     1
 ASSI {  156}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      6.000     4.800     0.000 peak   156 spectrum    1 weight  0.11000E+01 volume  0.26064E-03 ppm1      8.080 ppm2      0.082 CV     1
 ASSI {  158}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.600     1.600     1.600 peak   158 spectrum    1 weight  0.11000E+01 volume  0.84566E-03 ppm1      7.985 ppm2      4.234 CV     1
 ASSI {  159}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.600     1.600     1.600 peak   159 spectrum    1 weight  0.11000E+01 volume  0.10542E-02 ppm1      7.983 ppm2      3.826 CV     1
 ASSI {  160}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.800     3.800     2.200 peak   160 spectrum    1 weight  0.11000E+01 volume  0.14832E-03 ppm1      7.983 ppm2      2.395 CV     1
 ASSI {  161}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.300     2.300     1.700 peak   161 spectrum    1 weight  0.11000E+01 volume  0.89012E-03 ppm1      7.983 ppm2      1.637 CV     1
 ASSI {  162}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      3.200     3.200     2.800 peak   162 spectrum    1 weight  0.11000E+01 volume  0.39880E-03 ppm1      7.985 ppm2      0.863 CV     1
 ASSI {  163}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.400     2.400     1.600 peak   163 spectrum    1 weight  0.11000E+01 volume  0.23524E-03 ppm1      9.327 ppm2      5.408 CV     1
 ASSI {  164}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.900     0.900 peak   164 spectrum    1 weight  0.11000E+01 volume  0.24881E-02 ppm1      9.327 ppm2      4.011 CV     1
 ASSI {  165}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      3.000     1.200     1.200 peak   165 spectrum    1 weight  0.11000E+01 volume  0.27604E-02 ppm1      9.328 ppm2      2.521 CV     1
 ASSI {  166}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.200     0.600     0.600 peak   166 spectrum    1 weight  0.11000E+01 volume  0.47185E-02 ppm1      9.327 ppm2      2.092 CV     1
 ASSI {  167}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.800     1.800     1.800 peak   167 spectrum    1 weight  0.11000E+01 volume  0.14337E-02 ppm1      9.327 ppm2      1.662 CV     1
 ASSI {  168}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     5.800     0.000 peak   168 spectrum    1 weight  0.11000E+01 volume  0.26130E-04 ppm1      9.327 ppm2      1.360 CV     1
 ASSI {  169}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
      4.400     4.400     1.600 peak   169 spectrum    1 weight  0.11000E+01 volume  0.75002E-03 ppm1      9.325 ppm2      0.844 CV     1
 ASSI {  170}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      4.800     2.900     1.200 peak   170 spectrum    1 weight  0.11000E+01 volume  0.47554E-03 ppm1      9.328 ppm2      0.549 CV     1
 ASSI {  171}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      5.600     3.900     0.400 peak   171 spectrum    1 weight  0.11000E+01 volume  0.27152E-03 ppm1      9.322 ppm2      0.238 CV     1
 ASSI {  172}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      5.200     3.400     0.800 peak   172 spectrum    1 weight  0.11000E+01 volume  0.18944E-03 ppm1      9.326 ppm2      3.453 CV     1
 ASSI {  173}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak   173 spectrum    1 weight  0.11000E+01 volume  0.21512E-02 ppm1      8.325 ppm2      3.892 CV     1
 ASSI {  174}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.400     3.600     0.600 peak   174 spectrum    1 weight  0.11000E+01 volume  0.12537E-03 ppm1      8.328 ppm2      2.913 CV     1
 ASSI {  175}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      5.200     3.400     0.800 peak   175 spectrum    1 weight  0.11000E+01 volume  0.12884E-03 ppm1      8.329 ppm2      2.753 CV     1
 ASSI {  176}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.300     0.700     0.700 peak   176 spectrum    1 weight  0.11000E+01 volume  0.72793E-02 ppm1      8.328 ppm2      2.222 CV     1
 ASSI {  177}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.900     1.000     1.000 peak   177 spectrum    1 weight  0.11000E+01 volume  0.44988E-02 ppm1      8.328 ppm2      1.996 CV     1
 ASSI {  178}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.500     4.500     1.500 peak   178 spectrum    1 weight  0.11000E+01 volume  0.41921E-03 ppm1      8.329 ppm2      1.669 CV     1
 ASSI {  179}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      4.700     2.800     1.300 peak   179 spectrum    1 weight  0.11000E+01 volume  0.37583E-03 ppm1      8.328 ppm2      1.508 CV     1
 ASSI {  180}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.500     1.500     1.500 peak   180 spectrum    1 weight  0.11000E+01 volume  0.10916E-02 ppm1      8.329 ppm2      0.837 CV     1
 ASSI {  181}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.800     4.800     1.200 peak   181 spectrum    1 weight  0.11000E+01 volume  0.42495E-03 ppm1      8.329 ppm2      0.537 CV     1
 ASSI {  182}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     6.000     0.000 peak   182 spectrum    1 weight  0.11000E+01 volume  0.30275E-04 ppm1      8.329 ppm2      0.261 CV     1
 ASSI {  189}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.300     3.500     0.700 peak   189 spectrum    1 weight  0.11000E+01 volume  0.14259E-03 ppm1      7.880 ppm2      2.931 CV     1
 ASSI {  191}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.200     0.600     0.600 peak   191 spectrum    1 weight  0.11000E+01 volume  0.56244E-02 ppm1      7.881 ppm2      2.022 CV     1
 ASSI {  192}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      3.800     1.800     1.800 peak   192 spectrum    1 weight  0.11000E+01 volume  0.13640E-02 ppm1      7.882 ppm2      1.676 CV     1
 ASSI {  193}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      3.400     1.400     1.400 peak   193 spectrum    1 weight  0.11000E+01 volume  0.17573E-02 ppm1      7.879 ppm2      1.521 CV     1
 ASSI {  194}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      5.000     5.000     1.000 peak   194 spectrum    1 weight  0.11000E+01 volume  0.36226E-03 ppm1      7.882 ppm2      0.543 CV     1
 ASSI {  195}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      5.800     4.100     0.200 peak   195 spectrum    1 weight  0.11000E+01 volume  0.14609E-03 ppm1      7.747 ppm2      4.546 CV     1
 ASSI {  197}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak   197 spectrum    1 weight  0.11000E+01 volume  0.17472E-02 ppm1      7.747 ppm2      3.998 CV     1
 ASSI {  198}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.900     1.900 peak   198 spectrum    1 weight  0.11000E+01 volume  0.11429E-02 ppm1      7.747 ppm2      3.881 CV     1
 ASSI {  199}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.700     1.700     1.700 peak   199 spectrum    1 weight  0.11000E+01 volume  0.85847E-03 ppm1      7.747 ppm2      3.644 CV     1
 ASSI {  200}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 46   and name HD2 ))
      5.900     4.400     0.100 peak   200 spectrum    1 weight  0.11000E+01 volume  0.61348E-04 ppm1      7.746 ppm2      2.950 CV     1
 ASSI {  202}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.500     3.500     2.500 peak   202 spectrum    1 weight  0.11000E+01 volume  0.25059E-03 ppm1      7.746 ppm2      2.089 CV     1
 ASSI {  203}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      2.700     0.900     0.900 peak   203 spectrum    1 weight  0.11000E+01 volume  0.27056E-02 ppm1      7.748 ppm2      1.805 CV     1
 ASSI {  205}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      3.000     3.000     3.000 peak   205 spectrum    1 weight  0.11000E+01 volume  0.37005E-02 ppm1      7.747 ppm2      0.928 CV     1
 ASSI {  207}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      6.000     4.700     0.000 peak   207 spectrum    1 weight  0.11000E+01 volume  0.78848E-04 ppm1      7.747 ppm2      0.082 CV     1
 ASSI {  208}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
      6.000     5.300     0.000 peak   208 spectrum    1 weight  0.11000E+01 volume  0.34179E-04 ppm1      7.743 ppm2      3.127 CV     1
 ASSI {  210}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.600     0.800     0.800 peak   210 spectrum    1 weight  0.11000E+01 volume  0.37773E-02 ppm1      8.645 ppm2      4.074 CV     1
 ASSI {  212}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.500     1.500     1.500 peak   212 spectrum    1 weight  0.11000E+01 volume  0.15007E-02 ppm1      8.645 ppm2      2.299 CV     1
 ASSI {  213}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.500     1.600     1.600 peak   213 spectrum    1 weight  0.11000E+01 volume  0.18878E-02 ppm1      8.648 ppm2      2.086 CV     1
 ASSI {  214}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HG  ))
      3.300     1.300     1.300 peak   214 spectrum    1 weight  0.11000E+01 volume  0.33743E-02 ppm1      8.646 ppm2      1.645 CV     1
 ASSI {  216}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      4.600     4.600     1.400 peak   216 spectrum    1 weight  0.11000E+01 volume  0.59810E-03 ppm1      8.647 ppm2      0.541 CV     1
 ASSI {  218}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.900     0.000 peak   218 spectrum    1 weight  0.11000E+01 volume  0.86681E-04 ppm1      8.644 ppm2      3.370 CV     1
 ASSI {  219}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak   219 spectrum    1 weight  0.11000E+01 volume  0.16738E-02 ppm1      8.453 ppm2      4.064 CV     1
 ASSI {  221}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HG2 ))
      5.700     4.100     0.300 peak   221 spectrum    1 weight  0.11000E+01 volume  0.11558E-03 ppm1      8.454 ppm2      2.488 CV     1
 ASSI {  222}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.400     1.400     1.400 peak   222 spectrum    1 weight  0.11000E+01 volume  0.14582E-02 ppm1      8.454 ppm2      2.297 CV     1
 ASSI {  223}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.800     2.800     3.200 peak   223 spectrum    1 weight  0.11000E+01 volume  0.85080E-03 ppm1      8.454 ppm2      2.087 CV     1
 ASSI {  225}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG  ))
      2.000     0.500     0.500 peak   225 spectrum    1 weight  0.11000E+01 volume  0.49115E-02 ppm1      8.454 ppm2      1.650 CV     1
 ASSI {  226}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 28   and name HB% )
      4.300     2.300     1.700 peak   226 spectrum    1 weight  0.11000E+01 volume  0.58183E-03 ppm1      8.455 ppm2      1.336 CV     1
 ASSI {  227}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      3.500     3.500     2.500 peak   227 spectrum    1 weight  0.11000E+01 volume  0.42367E-02 ppm1      8.454 ppm2      0.845 CV     1
 ASSI {  228}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.600     2.700     1.400 peak   228 spectrum    1 weight  0.11000E+01 volume  0.79741E-03 ppm1      8.454 ppm2      0.542 CV     1
 ASSI {  229}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      5.600     3.900     0.400 peak   229 spectrum    1 weight  0.11000E+01 volume  0.94036E-04 ppm1      8.456 ppm2      0.261 CV     1
 ASSI {  232}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.900     1.900     1.900 peak   232 spectrum    1 weight  0.11000E+01 volume  0.12757E-02 ppm1      7.967 ppm2      4.179 CV     1
 ASSI {  236}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB  ))
      3.500     1.500     1.500 peak   236 spectrum    1 weight  0.11000E+01 volume  0.12719E-02 ppm1      7.966 ppm2      1.712 CV     1
 ASSI {  237}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      4.200     2.200     1.800 peak   237 spectrum    1 weight  0.11000E+01 volume  0.93125E-03 ppm1      7.966 ppm2      1.387 CV     1
 ASSI {  240}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 44   and name HG11))
      5.400     3.600     0.600 peak   240 spectrum    1 weight  0.11000E+01 volume  0.88174E-04 ppm1      7.965 ppm2      0.258 CV     1
 ASSI {  242}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HG2 ))
      6.000     6.000     0.000 peak   242 spectrum    1 weight  0.11000E+01 volume  0.29912E-04 ppm1      8.662 ppm2      2.490 CV     1
 ASSI {  243}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      2.400     0.700     0.700 peak   243 spectrum    1 weight  0.11000E+01 volume  0.54318E-02 ppm1      8.661 ppm2      1.800 CV     1
 ASSI {  244}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.000     1.100     1.100 peak   244 spectrum    1 weight  0.11000E+01 volume  0.18530E-02 ppm1      8.662 ppm2      1.503 CV     1
 ASSI {  245}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG11))
      2.400     0.700     0.700 peak   245 spectrum    1 weight  0.11000E+01 volume  0.28326E-02 ppm1      8.662 ppm2      1.083 CV     1
 ASSI {  247}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.500     2.500     1.500 peak   247 spectrum    1 weight  0.11000E+01 volume  0.75092E-03 ppm1      8.662 ppm2      0.234 CV     1
 ASSI {  248}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.900     1.900     1.900 peak   248 spectrum    1 weight  0.11000E+01 volume  0.60821E-03 ppm1      8.662 ppm2      0.079 CV     1
 ASSI {  249}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   249 spectrum    1 weight  0.11000E+01 volume  0.31725E-02 ppm1      8.661 ppm2      3.894 CV     1
 ASSI {  250}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG12))
      2.800     0.900     0.900 peak   250 spectrum    1 weight  0.11000E+01 volume  0.56447E-02 ppm1      8.661 ppm2      1.896 CV     1
 ASSI {  251}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      4.600     2.700     1.400 peak   251 spectrum    1 weight  0.11000E+01 volume  0.61303E-03 ppm1      8.658 ppm2      0.546 CV     1
 ASSI {  252}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.000     3.200     1.000 peak   252 spectrum    1 weight  0.11000E+01 volume  0.28279E-03 ppm1      8.788 ppm2      2.916 CV     1
 ASSI {  253}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 40   and name HG12))
      4.800     2.800     1.200 peak   253 spectrum    1 weight  0.11000E+01 volume  0.36224E-03 ppm1      8.788 ppm2      1.364 CV     1
 ASSI {  254}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      5.100     3.200     0.900 peak   254 spectrum    1 weight  0.11000E+01 volume  0.36881E-03 ppm1      8.785 ppm2      4.381 CV     1
 ASSI {  255}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak   255 spectrum    1 weight  0.11000E+01 volume  0.47311E-02 ppm1      8.786 ppm2      4.152 CV     1
 ASSI {  256}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      4.200     2.200     1.800 peak   256 spectrum    1 weight  0.11000E+01 volume  0.94554E-03 ppm1      8.784 ppm2      2.767 CV     1
 ASSI {  257}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.100     3.100     2.900 peak   257 spectrum    1 weight  0.11000E+01 volume  0.35032E-02 ppm1      8.785 ppm2      2.248 CV     1
 ASSI {  258}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG  ))
      2.200     0.600     0.600 peak   258 spectrum    1 weight  0.11000E+01 volume  0.59495E-02 ppm1      8.786 ppm2      1.765 CV     1
 ASSI {  259}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 40   and name HG11))
      6.000     6.000     0.000 peak   259 spectrum    1 weight  0.11000E+01 volume  0.12121E-04 ppm1      8.785 ppm2      1.178 CV     1
 ASSI {  261}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.700     4.700     1.300 peak   261 spectrum    1 weight  0.11000E+01 volume  0.25893E-03 ppm1      8.784 ppm2      0.260 CV     1
 ASSI {  264}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.200     2.200     1.800 peak   264 spectrum    1 weight  0.11000E+01 volume  0.15670E-03 ppm1      7.411 ppm2      3.914 CV     1
 ASSI {  265}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.600     0.800     0.800 peak   265 spectrum    1 weight  0.11000E+01 volume  0.43973E-02 ppm1      6.878 ppm2      4.561 CV     1
 ASSI {  267}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
      2.800     1.000     1.000 peak   267 spectrum    1 weight  0.11000E+01 volume  0.22410E-02 ppm1      6.879 ppm2      3.865 CV     1
 ASSI {  268}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.200     2.200     1.800 peak   268 spectrum    1 weight  0.11000E+01 volume  0.54913E-03 ppm1      6.878 ppm2      3.626 CV     1
 ASSI {  269}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.500     0.800     0.800 peak   269 spectrum    1 weight  0.11000E+01 volume  0.50544E-02 ppm1      6.878 ppm2      2.852 CV     1
 ASSI {  270}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.300     0.700     0.700 peak   270 spectrum    1 weight  0.11000E+01 volume  0.82636E-02 ppm1      6.878 ppm2      2.628 CV     1
 ASSI {  272}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      5.500     3.800     0.500 peak   272 spectrum    1 weight  0.11000E+01 volume  0.29348E-03 ppm1      6.874 ppm2      1.529 CV     1
 ASSI {  273}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HG11))
      5.100     5.100     0.900 peak   273 spectrum    1 weight  0.11000E+01 volume  0.25521E-03 ppm1      6.878 ppm2      1.136 CV     1
 ASSI {  274}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      4.300     2.300     1.700 peak   274 spectrum    1 weight  0.11000E+01 volume  0.88228E-03 ppm1      6.879 ppm2      0.981 CV     1
 ASSI {  276}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      6.000     6.000     0.000 peak   276 spectrum    1 weight  0.11000E+01 volume  0.23113E-04 ppm1      6.880 ppm2      0.544 CV     1
 ASSI {  277}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.800     4.800     1.200 peak   277 spectrum    1 weight  0.11000E+01 volume  0.54242E-03 ppm1      6.879 ppm2      0.234 CV     1
 ASSI {  278}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      6.000     4.700     0.000 peak   278 spectrum    1 weight  0.11000E+01 volume  0.82686E-04 ppm1      6.878 ppm2      0.076 CV     1
 ASSI {  279}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak   279 spectrum    1 weight  0.11000E+01 volume  0.43997E-02 ppm1      8.776 ppm2      3.889 CV     1
 ASSI {  280}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      5.000     3.200     1.000 peak   280 spectrum    1 weight  0.11000E+01 volume  0.27117E-03 ppm1      8.777 ppm2      3.458 CV     1
 ASSI {  281}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      3.900     1.900     1.900 peak   281 spectrum    1 weight  0.11000E+01 volume  0.11613E-02 ppm1      8.779 ppm2      2.497 CV     1
 ASSI {  282}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.200     0.600     0.600 peak   282 spectrum    1 weight  0.11000E+01 volume  0.62038E-02 ppm1      8.778 ppm2      2.012 CV     1
 ASSI {  283}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      3.000     1.100     1.100 peak   283 spectrum    1 weight  0.11000E+01 volume  0.54864E-02 ppm1      8.778 ppm2      1.523 CV     1
 ASSI {  286}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.400     1.400 peak   286 spectrum    1 weight  0.11000E+01 volume  0.13468E-02 ppm1      8.424 ppm2      3.938 CV     1
 ASSI {  287}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.200     2.200     3.800 peak   287 spectrum    1 weight  0.11000E+01 volume  0.35178E-02 ppm1      8.423 ppm2      1.878 CV     1
 ASSI {  288}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG  ))
      3.700     1.700     1.700 peak   288 spectrum    1 weight  0.11000E+01 volume  0.19698E-02 ppm1      8.424 ppm2      1.397 CV     1
 ASSI {  291}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HD2%)
      3.200     3.200     2.800 peak   291 spectrum    1 weight  0.11000E+01 volume  0.39136E-03 ppm1      8.424 ppm2      0.281 CV     1
 ASSI {  292}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.600     1.700     1.700 peak   292 spectrum    1 weight  0.11000E+01 volume  0.24439E-02 ppm1      8.422 ppm2      1.541 CV     1
 ASSI {  293}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.500     2.500     1.500 peak   293 spectrum    1 weight  0.11000E+01 volume  0.50679E-03 ppm1      8.422 ppm2      1.223 CV     1
 ASSI {  295}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.700     1.700     1.700 peak   295 spectrum    1 weight  0.11000E+01 volume  0.89179E-03 ppm1      8.279 ppm2      4.344 CV     1
 ASSI {  296}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      5.100     3.200     0.900 peak   296 spectrum    1 weight  0.11000E+01 volume  0.10572E-03 ppm1      8.277 ppm2      4.173 CV     1
 ASSI {  297}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.400     1.400 peak   297 spectrum    1 weight  0.11000E+01 volume  0.75052E-03 ppm1      8.278 ppm2      3.636 CV     1
 ASSI {  299}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.400     3.400     2.600 peak   299 spectrum    1 weight  0.11000E+01 volume  0.28374E-03 ppm1      8.278 ppm2      2.871 CV     1
 ASSI {  300}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      6.000     6.000     0.000 peak   300 spectrum    1 weight  0.11000E+01 volume  0.26549E-04 ppm1      8.277 ppm2      2.399 CV     1
 ASSI {  302}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      5.300     3.500     0.700 peak   302 spectrum    1 weight  0.11000E+01 volume  0.29332E-03 ppm1      8.277 ppm2      2.045 CV     1
 ASSI {  303}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 42   and name HB% )
      4.200     2.200     1.800 peak   303 spectrum    1 weight  0.11000E+01 volume  0.61060E-03 ppm1      8.278 ppm2      1.379 CV     1
 ASSI {  305}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      3.300     1.300     1.300 peak   305 spectrum    1 weight  0.11000E+01 volume  0.53015E-02 ppm1      8.279 ppm2      0.822 CV     1
 ASSI {  306}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      4.300     2.300     1.700 peak   306 spectrum    1 weight  0.11000E+01 volume  0.81274E-03 ppm1      8.273 ppm2      0.527 CV     1
 ASSI {  307}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HG11))
      2.300     0.600     0.600 peak   307 spectrum    1 weight  0.11000E+01 volume  0.23970E-02 ppm1      8.279 ppm2      0.310 CV     1
 ASSI {  309}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak   309 spectrum    1 weight  0.11000E+01 volume  0.22396E-02 ppm1      7.672 ppm2      4.207 CV     1
 ASSI {  310}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.400     1.400     1.400 peak   310 spectrum    1 weight  0.11000E+01 volume  0.31055E-02 ppm1      7.673 ppm2      4.093 CV     1
 ASSI {  312}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      2.600     0.900     0.900 peak   312 spectrum    1 weight  0.11000E+01 volume  0.25700E-02 ppm1      7.673 ppm2      2.893 CV     1
 ASSI {  313}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      2.600     0.800     0.800 peak   313 spectrum    1 weight  0.11000E+01 volume  0.39968E-02 ppm1      7.673 ppm2      2.569 CV     1
 ASSI {  314}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.500     1.500     1.500 peak   314 spectrum    1 weight  0.11000E+01 volume  0.24542E-02 ppm1      7.673 ppm2      2.352 CV     1
 ASSI {  315}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HE% )
      4.800     2.800     1.200 peak   315 spectrum    1 weight  0.11000E+01 volume  0.50364E-03 ppm1      7.674 ppm2      2.149 CV     1
 ASSI {  316}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      5.000     5.000     1.000 peak   316 spectrum    1 weight  0.11000E+01 volume  0.24004E-03 ppm1      7.673 ppm2      0.822 CV     1
 ASSI {  317}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      5.800     5.800     0.200 peak   317 spectrum    1 weight  0.11000E+01 volume  0.21874E-03 ppm1      7.674 ppm2      0.533 CV     1
 ASSI {  318}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.600     2.600     1.400 peak   318 spectrum    1 weight  0.11000E+01 volume  0.15293E-03 ppm1      9.072 ppm2      5.411 CV     1
 ASSI {  320}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   320 spectrum    1 weight  0.11000E+01 volume  0.17315E-02 ppm1      9.069 ppm2      3.918 CV     1
 ASSI {  321}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.400     1.400     1.400 peak   321 spectrum    1 weight  0.11000E+01 volume  0.37783E-02 ppm1      9.072 ppm2      2.419 CV     1
 ASSI {  323}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.700     0.000 peak   323 spectrum    1 weight  0.11000E+01 volume  0.14786E-03 ppm1      9.072 ppm2      1.667 CV     1
 ASSI {  324}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 9    and name HG1%)
      3.300     3.300     2.700 peak   324 spectrum    1 weight  0.11000E+01 volume  0.34878E-03 ppm1      9.071 ppm2      0.914 CV     1
 ASSI {  326}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   326 spectrum    1 weight  0.11000E+01 volume  0.22653E-02 ppm1      7.952 ppm2      4.138 CV     1
 ASSI {  327}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.800     1.800     1.800 peak   327 spectrum    1 weight  0.11000E+01 volume  0.43871E-03 ppm1      7.952 ppm2      3.872 CV     1
 ASSI {  328}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     5.800     0.000 peak   328 spectrum    1 weight  0.11000E+01 volume  0.47388E-04 ppm1      7.954 ppm2      3.493 CV     1
 ASSI {  329}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      5.800     4.100     0.200 peak   329 spectrum    1 weight  0.11000E+01 volume  0.11966E-03 ppm1      7.952 ppm2      2.500 CV     1
 ASSI {  330}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.300     2.300     1.700 peak   330 spectrum    1 weight  0.11000E+01 volume  0.67711E-03 ppm1      7.952 ppm2      2.223 CV     1
 ASSI {  332}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.600     1.600     1.600 peak   332 spectrum    1 weight  0.11000E+01 volume  0.10313E-02 ppm1      7.951 ppm2      1.520 CV     1
 ASSI {  333}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      4.500     4.500     1.500 peak   333 spectrum    1 weight  0.11000E+01 volume  0.47577E-03 ppm1      7.951 ppm2      0.830 CV     1
 ASSI {  334}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.300     2.300     1.700 peak   334 spectrum    1 weight  0.11000E+01 volume  0.92773E-03 ppm1      7.952 ppm2      0.535 CV     1
 ASSI {  335}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG  ))
      3.800     1.800     1.800 peak   335 spectrum    1 weight  0.11000E+01 volume  0.11789E-02 ppm1      7.950 ppm2      1.771 CV     1
 ASSI {  337}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.200     1.300     1.300 peak   337 spectrum    1 weight  0.11000E+01 volume  0.16176E-02 ppm1      7.495 ppm2      3.914 CV     1
 ASSI {  339}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.800     1.800     1.800 peak   339 spectrum    1 weight  0.11000E+01 volume  0.50391E-03 ppm1      7.494 ppm2      2.966 CV     1
 ASSI {  341}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG1 ))
      3.800     1.800     1.800 peak   341 spectrum    1 weight  0.11000E+01 volume  0.10322E-02 ppm1      7.493 ppm2      2.181 CV     1
 ASSI {  342}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.000     1.200     1.200 peak   342 spectrum    1 weight  0.11000E+01 volume  0.31275E-02 ppm1      7.495 ppm2      2.045 CV     1
 ASSI {  344}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.500     1.600     1.600 peak   344 spectrum    1 weight  0.11000E+01 volume  0.24112E-02 ppm1      7.495 ppm2      1.681 CV     1
 ASSI {  345}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
      2.800     1.000     1.000 peak   345 spectrum    1 weight  0.11000E+01 volume  0.21698E-02 ppm1      7.495 ppm2      1.540 CV     1
 ASSI {  348}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      4.200     2.200     1.800 peak   348 spectrum    1 weight  0.11000E+01 volume  0.55152E-03 ppm1      7.495 ppm2      0.977 CV     1
 ASSI {  349}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      4.600     2.600     1.400 peak   349 spectrum    1 weight  0.11000E+01 volume  0.43121E-03 ppm1      7.494 ppm2      0.803 CV     1
 ASSI {  350}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HG11))
      3.500     3.500     2.500 peak   350 spectrum    1 weight  0.11000E+01 volume  0.23373E-03 ppm1      7.494 ppm2      0.276 CV     1
 ASSI {  351}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak   351 spectrum    1 weight  0.11000E+01 volume  0.21436E-02 ppm1      8.094 ppm2      4.001 CV     1
 ASSI {  352}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.500     1.500     1.500 peak   352 spectrum    1 weight  0.11000E+01 volume  0.98536E-03 ppm1      8.091 ppm2      4.114 CV     1
 ASSI {  353}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HG2 ))
      5.700     4.100     0.300 peak   353 spectrum    1 weight  0.11000E+01 volume  0.99293E-04 ppm1      8.087 ppm2      2.500 CV     1
 ASSI {  354}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.900     3.000     1.100 peak   354 spectrum    1 weight  0.11000E+01 volume  0.30777E-03 ppm1      8.094 ppm2      2.092 CV     1
 ASSI {  355}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HG12))
      4.600     2.600     1.400 peak   355 spectrum    1 weight  0.11000E+01 volume  0.60279E-03 ppm1      8.093 ppm2      1.900 CV     1
 ASSI {  356}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      4.500     2.500     1.500 peak   356 spectrum    1 weight  0.11000E+01 volume  0.70466E-03 ppm1      8.093 ppm2      1.820 CV     1
 ASSI {  357}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.100     0.600     0.600 peak   357 spectrum    1 weight  0.11000E+01 volume  0.44371E-02 ppm1      8.095 ppm2      1.534 CV     1
 ASSI {  358}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      2.700     0.900     0.900 peak   358 spectrum    1 weight  0.11000E+01 volume  0.49755E-02 ppm1      8.095 ppm2      1.366 CV     1
 ASSI {  360}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      3.900     1.900     1.900 peak   360 spectrum    1 weight  0.11000E+01 volume  0.85134E-03 ppm1      8.090 ppm2      0.945 CV     1
 ASSI {  361}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      4.000     2.000     2.000 peak   361 spectrum    1 weight  0.11000E+01 volume  0.18160E-02 ppm1      8.095 ppm2      0.548 CV     1
 ASSI {  362}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.100     1.200     1.200 peak   362 spectrum    1 weight  0.11000E+01 volume  0.14860E-02 ppm1      8.095 ppm2      0.240 CV     1
 ASSI {  363}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.600     1.600     1.600 peak   363 spectrum    1 weight  0.11000E+01 volume  0.19425E-02 ppm1      8.095 ppm2      0.081 CV     1
 ASSI {  367}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 28   and name HB% )
      5.100     3.300     0.900 peak   367 spectrum    1 weight  0.11000E+01 volume  0.31722E-03 ppm1      8.321 ppm2      1.318 CV     1
 ASSI {  368}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 30   and name HD1%)
      5.900     4.300     0.100 peak   368 spectrum    1 weight  0.11000E+01 volume  0.10903E-03 ppm1      8.321 ppm2      0.943 CV     1
 ASSI {  369}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.700     2.800     1.300 peak   369 spectrum    1 weight  0.11000E+01 volume  0.17708E-03 ppm1      8.320 ppm2      4.807 CV     1
 ASSI {  371}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
      3.900     1.900     1.900 peak   371 spectrum    1 weight  0.11000E+01 volume  0.17122E-02 ppm1      8.319 ppm2      1.763 CV     1
 ASSI {  372}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HG  ))
      3.300     3.300     2.700 peak   372 spectrum    1 weight  0.11000E+01 volume  0.13245E-02 ppm1      8.318 ppm2      1.634 CV     1
 ASSI {  373}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak   373 spectrum    1 weight  0.11000E+01 volume  0.25414E-02 ppm1      8.345 ppm2      4.385 CV     1
 ASSI {  374}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak   374 spectrum    1 weight  0.11000E+01 volume  0.36372E-02 ppm1      8.343 ppm2      4.239 CV     1
 ASSI {  375}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.100     0.600     0.600 peak   375 spectrum    1 weight  0.11000E+01 volume  0.11299E-01 ppm1      8.343 ppm2      4.074 CV     1
 ASSI {  376}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.300     1.400     1.400 peak   376 spectrum    1 weight  0.11000E+01 volume  0.26418E-02 ppm1      8.345 ppm2      2.919 CV     1
 ASSI {  377}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      2.500     0.800     0.800 peak   377 spectrum    1 weight  0.11000E+01 volume  0.33826E-02 ppm1      8.345 ppm2      2.769 CV     1
 ASSI {  378}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      4.500     2.500     1.500 peak   378 spectrum    1 weight  0.11000E+01 volume  0.72233E-03 ppm1      8.343 ppm2      2.516 CV     1
 ASSI {  379}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.700     2.700     3.300 peak   379 spectrum    1 weight  0.11000E+01 volume  0.11604E-02 ppm1      8.343 ppm2      2.200 CV     1
 ASSI {  380}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      4.700     4.700     1.300 peak   380 spectrum    1 weight  0.11000E+01 volume  0.28956E-03 ppm1      8.344 ppm2      0.825 CV     1
 ASSI {  381}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      5.800     5.800     0.200 peak   381 spectrum    1 weight  0.11000E+01 volume  0.18185E-03 ppm1      8.344 ppm2      0.537 CV     1
 ASSI {  383}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
      6.000     6.000     0.000 peak   383 spectrum    1 weight  0.11000E+01 volume  0.77487E-04 ppm1      8.341 ppm2      3.492 CV     1
 ASSI {  384}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      5.300     3.500     0.700 peak   384 spectrum    1 weight  0.11000E+01 volume  0.16783E-03 ppm1      8.342 ppm2      1.516 CV     1
 ASSI {  385}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   385 spectrum    1 weight  0.11000E+01 volume  0.12724E-02 ppm1      7.259 ppm2      4.174 CV     1
 ASSI {  386}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      4.300     2.300     1.700 peak   386 spectrum    1 weight  0.11000E+01 volume  0.80120E-03 ppm1      7.257 ppm2      4.065 CV     1
 ASSI {  390}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG1 ))
      3.000     1.100     1.100 peak   390 spectrum    1 weight  0.11000E+01 volume  0.34697E-02 ppm1      7.257 ppm2      2.194 CV     1
 ASSI {  391}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.700     0.900     0.900 peak   391 spectrum    1 weight  0.11000E+01 volume  0.67079E-02 ppm1      7.238 ppm2      2.047 CV     1
 ASSI {  392}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      2.800     1.000     1.000 peak   392 spectrum    1 weight  0.11000E+01 volume  0.25036E-02 ppm1      7.258 ppm2      1.766 CV     1
 ASSI {  393}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HG12))
      4.500     2.500     1.500 peak   393 spectrum    1 weight  0.11000E+01 volume  0.93210E-03 ppm1      7.258 ppm2      1.575 CV     1
 ASSI {  394}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HG  ))
      4.600     2.600     1.400 peak   394 spectrum    1 weight  0.11000E+01 volume  0.50995E-03 ppm1      7.258 ppm2      1.390 CV     1
 ASSI {  396}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HG11))
      4.200     2.200     1.800 peak   396 spectrum    1 weight  0.11000E+01 volume  0.50296E-03 ppm1      7.258 ppm2      0.306 CV     1
 ASSI {  397}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      4.600     2.600     1.400 peak   397 spectrum    1 weight  0.11000E+01 volume  0.20308E-03 ppm1      7.257 ppm2      3.644 CV     1
 ASSI {  399}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      6.000     6.000     0.000 peak   399 spectrum    1 weight  0.11000E+01 volume  0.24525E-04 ppm1      7.253 ppm2      0.539 CV     1
 ASSI {  400}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     5.700     0.000 peak   400 spectrum    1 weight  0.11000E+01 volume  0.41380E-04 ppm1      7.929 ppm2      2.979 CV     1
 ASSI {  401}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.800     1.000     1.000 peak   401 spectrum    1 weight  0.11000E+01 volume  0.30473E-02 ppm1      7.925 ppm2      3.997 CV     1
 ASSI {  402}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak   402 spectrum    1 weight  0.11000E+01 volume  0.34694E-02 ppm1      7.924 ppm2      3.893 CV     1
 ASSI {  404}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.500     2.500     1.500 peak   404 spectrum    1 weight  0.11000E+01 volume  0.62191E-03 ppm1      7.926 ppm2      2.307 CV     1
 ASSI {  405}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.700     0.900     0.900 peak   405 spectrum    1 weight  0.11000E+01 volume  0.51207E-02 ppm1      7.925 ppm2      2.087 CV     1
 ASSI {  407}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.400     1.400     1.400 peak   407 spectrum    1 weight  0.11000E+01 volume  0.18606E-02 ppm1      7.925 ppm2      1.655 CV     1
 ASSI {  408}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 32   and name HB% )
      4.100     2.100     1.900 peak   408 spectrum    1 weight  0.11000E+01 volume  0.87935E-03 ppm1      7.926 ppm2      1.352 CV     1
 ASSI {  410}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     6.000     0.000 peak   410 spectrum    1 weight  0.11000E+01 volume  0.53227E-06 ppm1      7.928 ppm2      0.261 CV     1
 ASSI {  411}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.800     2.900     1.200 peak   411 spectrum    1 weight  0.11000E+01 volume  0.44002E-03 ppm1      7.789 ppm2      4.815 CV     1
 ASSI {  413}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak   413 spectrum    1 weight  0.11000E+01 volume  0.14164E-02 ppm1      7.788 ppm2      4.448 CV     1
 ASSI {  414}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HA1 ))
      4.300     2.300     1.700 peak   414 spectrum    1 weight  0.11000E+01 volume  0.64063E-03 ppm1      7.789 ppm2      3.492 CV     1
 ASSI {  415}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.900     1.900     1.900 peak   415 spectrum    1 weight  0.11000E+01 volume  0.49813E-03 ppm1      7.787 ppm2      2.772 CV     1
 ASSI {  416}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.000     3.200     1.000 peak   416 spectrum    1 weight  0.11000E+01 volume  0.52830E-03 ppm1      7.788 ppm2      2.636 CV     1
 ASSI {  418}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG12))
      2.200     0.600     0.600 peak   418 spectrum    1 weight  0.11000E+01 volume  0.40282E-02 ppm1      7.787 ppm2      1.163 CV     1
 ASSI {  420}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.400     2.400     1.600 peak   420 spectrum    1 weight  0.11000E+01 volume  0.45169E-03 ppm1      8.119 ppm2      2.209 CV     1
 ASSI {  422}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA1 ))
      2.500     0.800     0.800 peak   422 spectrum    1 weight  0.11000E+01 volume  0.71976E-02 ppm1      8.021 ppm2      3.915 CV     1
 ASSI {  423}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     6.000     0.000 peak   423 spectrum    1 weight  0.11000E+01 volume  0.72743E-05 ppm1      8.020 ppm2      2.397 CV     1
 ASSI {  424}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      5.000     3.100     1.000 peak   424 spectrum    1 weight  0.11000E+01 volume  0.21845E-03 ppm1      8.021 ppm2      2.001 CV     1
 ASSI {  425}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.900     1.900     1.900 peak   425 spectrum    1 weight  0.11000E+01 volume  0.13694E-03 ppm1      8.021 ppm2      1.866 CV     1
 ASSI {  426}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.600     3.600     2.400 peak   426 spectrum    1 weight  0.11000E+01 volume  0.20980E-03 ppm1      8.025 ppm2      1.541 CV     1
 ASSI {  427}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 48   and name HD1%)
      3.600     3.600     2.400 peak   427 spectrum    1 weight  0.11000E+01 volume  0.21697E-03 ppm1      8.021 ppm2      0.883 CV     1
 ASSI {  429}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB  ))
      5.300     3.500     0.700 peak   429 spectrum    1 weight  0.11000E+01 volume  0.21178E-04 ppm1      8.244 ppm2      2.115 CV     1
 ASSI {  430}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.800     1.800     1.800 peak   430 spectrum    1 weight  0.11000E+01 volume  0.20621E-03 ppm1      8.244 ppm2      1.364 CV     1
 ASSI {  431}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      4.600     2.700     1.400 peak   431 spectrum    1 weight  0.11000E+01 volume  0.52794E-03 ppm1      8.245 ppm2      1.096 CV     1
 ASSI {  432}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 9    and name HG1%)
      2.900     2.900     3.100 peak   432 spectrum    1 weight  0.11000E+01 volume  0.83308E-03 ppm1      8.242 ppm2      0.933 CV     1
 ASSI {  433}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.400     1.400 peak   433 spectrum    1 weight  0.11000E+01 volume  0.56086E-03 ppm1      8.239 ppm2      5.412 CV     1
 ASSI {  434}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.900     1.900     1.900 peak   434 spectrum    1 weight  0.11000E+01 volume  0.63373E-03 ppm1      8.240 ppm2      3.910 CV     1
 ASSI {  436}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     6.000     0.000 peak   436 spectrum    1 weight  0.11000E+01 volume  0.11073E-04 ppm1      8.118 ppm2      4.718 CV     1
 ASSI {  438}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      5.000     3.100     1.000 peak   438 spectrum    1 weight  0.11000E+01 volume  0.26149E-03 ppm1      8.119 ppm2      4.296 CV     1
 ASSI {  439}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA2 ))
      2.400     0.700     0.700 peak   439 spectrum    1 weight  0.11000E+01 volume  0.11507E-01 ppm1      8.119 ppm2      3.905 CV     1
 ASSI {  440}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      4.300     2.300     1.700 peak   440 spectrum    1 weight  0.11000E+01 volume  0.36924E-03 ppm1      8.118 ppm2      2.677 CV     1
 ASSI {  442}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.900     1.900     1.900 peak   442 spectrum    1 weight  0.11000E+01 volume  0.85883E-03 ppm1      8.118 ppm2      1.960 CV     1
 ASSI {  443}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      4.300     2.400     1.700 peak   443 spectrum    1 weight  0.11000E+01 volume  0.30326E-03 ppm1      8.119 ppm2      1.632 CV     1
 ASSI {  444}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 3    and name HD1%)
      2.900     2.900     3.100 peak   444 spectrum    1 weight  0.11000E+01 volume  0.78600E-03 ppm1      8.119 ppm2      0.906 CV     1
 ASSI {  451}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.200     1.200 peak   451 spectrum    1 weight  0.11000E+01 volume  0.19552E-02 ppm1      7.708 ppm2      4.546 CV     1
 ASSI {  452}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA2 ))
      2.000     0.500     0.500 peak   452 spectrum    1 weight  0.11000E+01 volume  0.12583E-01 ppm1      7.708 ppm2      4.008 CV     1
 ASSI {  453}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   453 spectrum    1 weight  0.11000E+01 volume  0.18217E-02 ppm1      7.708 ppm2      3.641 CV     1
 ASSI {  454}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      4.400     2.500     1.600 peak   454 spectrum    1 weight  0.11000E+01 volume  0.92511E-03 ppm1      7.708 ppm2      1.462 CV     1
 ASSI {  455}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      3.700     1.700     1.700 peak   455 spectrum    1 weight  0.11000E+01 volume  0.22823E-02 ppm1      7.709 ppm2      0.965 CV     1
 ASSI {  456}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     6.000     0.000 peak   456 spectrum    1 weight  0.11000E+01 volume  0.13614E-03 ppm1      7.708 ppm2      0.233 CV     1
 ASSI {  457}
   (( segid "    " and resid 14   and name HE22))
   (( segid "    " and resid 14   and name HG2 ))
      3.700     1.700     1.700 peak   457 spectrum    1 weight  0.11000E+01 volume  0.14774E-02 ppm1      7.394 ppm2      2.698 CV     1
 ASSI {  465}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.400     2.400     3.600 peak   465 spectrum    1 weight  0.11000E+01 volume  0.22667E-02 ppm1      8.480 ppm2      4.454 CV     1
 ASSI {  469}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA2 ))
      2.600     0.800     0.800 peak   469 spectrum    1 weight  0.11000E+01 volume  0.77433E-02 ppm1      8.479 ppm2      3.912 CV     1
 ASSI {  470}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      4.700     2.800     1.300 peak   470 spectrum    1 weight  0.11000E+01 volume  0.11533E-03 ppm1      8.477 ppm2      2.295 CV     1
 ASSI {  471}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.400     3.400     2.600 peak   471 spectrum    1 weight  0.11000E+01 volume  0.29507E-03 ppm1      8.479 ppm2      1.934 CV     1
 ASSI {  472}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.800     3.800     2.200 peak   472 spectrum    1 weight  0.11000E+01 volume  0.14818E-02 ppm1      8.479 ppm2      1.606 CV     1
 ASSI {  474}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      4.700     4.700     1.300 peak   474 spectrum    1 weight  0.11000E+01 volume  0.40150E-03 ppm1      7.804 ppm2      4.450 CV     1
 ASSI {  477}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA2 ))
      2.400     0.700     0.700 peak   477 spectrum    1 weight  0.11000E+01 volume  0.97499E-02 ppm1      7.803 ppm2      3.991 CV     1
 ASSI {  478}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.200     1.200     1.200 peak   478 spectrum    1 weight  0.11000E+01 volume  0.14706E-02 ppm1      7.802 ppm2      1.861 CV     1
 ASSI {  479}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.600     1.600     1.600 peak   479 spectrum    1 weight  0.11000E+01 volume  0.97823E-03 ppm1      7.803 ppm2      1.540 CV     1
 ASSI {  480}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.700     3.700     2.300 peak   480 spectrum    1 weight  0.11000E+01 volume  0.18960E-03 ppm1      7.800 ppm2      1.222 CV     1
 ASSI {  481}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HD1%)
      3.200     3.200     2.800 peak   481 spectrum    1 weight  0.11000E+01 volume  0.45525E-03 ppm1      7.802 ppm2      0.902 CV     1
 ASSI {  482}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 47   and name HD1%)
      3.400     3.400     2.600 peak   482 spectrum    1 weight  0.11000E+01 volume  0.30598E-03 ppm1      7.802 ppm2      0.781 CV     1
 ASSI {  483}
   (( segid "    " and resid 29   and name HD21))
   (  segid "    " and resid 24   and name HD1%)
      3.600     3.600     2.400 peak   483 spectrum    1 weight  0.11000E+01 volume  0.19914E-03 ppm1      7.393 ppm2      0.818 CV     1
 ASSI {  487}
   (( segid "    " and resid 29   and name HD21))
   (  segid "    " and resid 18   and name HD1%)
      4.900     3.000     1.100 peak   487 spectrum    1 weight  0.11000E+01 volume  0.13943E-03 ppm1      7.391 ppm2      0.537 CV     1
 ASSI {  490}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 23   and name HB1 ))
      4.200     2.200     1.800 peak   490 spectrum    1 weight  0.11000E+01 volume  0.12919E-03 ppm1      6.680 ppm2      2.773 CV     1
 ASSI {  494}
   (( segid "    " and resid 29   and name HD22))
   (  segid "    " and resid 24   and name HG2%)
      3.400     3.400     2.600 peak   494 spectrum    1 weight  0.11000E+01 volume  0.29615E-03 ppm1      6.677 ppm2      0.818 CV     1
 ASSI {  497}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      5.000     3.100     1.000 peak   497 spectrum    1 weight  0.11000E+01 volume  0.25486E-03 ppm1      8.900 ppm2      1.532 CV     1
 ASSI {  498}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      4.100     2.100     1.900 peak   498 spectrum    1 weight  0.11000E+01 volume  0.33188E-03 ppm1      8.899 ppm2      1.370 CV     1
 ASSI {  499}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      4.900     3.000     1.100 peak   499 spectrum    1 weight  0.11000E+01 volume  0.44982E-03 ppm1      8.901 ppm2      0.965 CV     1
 ASSI {  500}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      6.000     6.000     0.000 peak   500 spectrum    1 weight  0.11000E+01 volume  0.75002E-06 ppm1      8.901 ppm2      0.549 CV     1
 ASSI {  501}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      4.200     2.200     1.800 peak   501 spectrum    1 weight  0.11000E+01 volume  0.66944E-03 ppm1      8.898 ppm2      4.556 CV     1
 ASSI {  503}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
      3.100     1.200     1.200 peak   503 spectrum    1 weight  0.11000E+01 volume  0.16065E-02 ppm1      8.900 ppm2      3.879 CV     1
 ASSI {  504}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.100     1.200     1.200 peak   504 spectrum    1 weight  0.11000E+01 volume  0.10283E-02 ppm1      8.900 ppm2      3.631 CV     1
 ASSI {  506}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      5.300     3.500     0.700 peak   506 spectrum    1 weight  0.11000E+01 volume  0.40189E-03 ppm1      8.898 ppm2      2.623 CV     1
 ASSI {  508}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.400     2.400     1.600 peak   508 spectrum    1 weight  0.11000E+01 volume  0.90780E-03 ppm1      8.900 ppm2      0.234 CV     1
 ASSI {  509}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.700     1.700     1.700 peak   509 spectrum    1 weight  0.11000E+01 volume  0.32232E-03 ppm1      8.898 ppm2      0.081 CV     1
 ASSI {  510}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      4.600     2.700     1.400 peak   510 spectrum    1 weight  0.11000E+01 volume  0.66290E-03 ppm1      7.774 ppm2      4.650 CV     1
 ASSI {  511}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   511 spectrum    1 weight  0.11000E+01 volume  0.34967E-02 ppm1      7.771 ppm2      4.383 CV     1
 ASSI {  512}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      2.500     0.800     0.800 peak   512 spectrum    1 weight  0.11000E+01 volume  0.41636E-02 ppm1      7.771 ppm2      4.104 CV     1
 ASSI {  514}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
      4.600     2.700     1.400 peak   514 spectrum    1 weight  0.11000E+01 volume  0.52650E-03 ppm1      7.772 ppm2      2.891 CV     1
 ASSI {  515}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      5.900     4.300     0.100 peak   515 spectrum    1 weight  0.11000E+01 volume  0.47149E-03 ppm1      7.772 ppm2      2.780 CV     1
 ASSI {  516}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG1 ))
      4.300     2.300     1.700 peak   516 spectrum    1 weight  0.11000E+01 volume  0.91812E-03 ppm1      7.771 ppm2      2.574 CV     1
 ASSI {  517}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      4.500     2.500     1.500 peak   517 spectrum    1 weight  0.11000E+01 volume  0.57858E-03 ppm1      7.772 ppm2      2.353 CV     1
 ASSI {  518}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      3.900     1.900     1.900 peak   518 spectrum    1 weight  0.11000E+01 volume  0.65185E-03 ppm1      7.772 ppm2      0.830 CV     1
 ASSI {  521}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      5.500     3.800     0.500 peak   521 spectrum    1 weight  0.11000E+01 volume  0.16643E-03 ppm1      7.667 ppm2      1.809 CV     1
 ASSI {  524}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.500     1.500 peak   524 spectrum    1 weight  0.11000E+01 volume  0.11498E-02 ppm1      7.663 ppm2      4.152 CV     1
 ASSI {  526}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
      2.600     0.800     0.800 peak   526 spectrum    1 weight  0.11000E+01 volume  0.36811E-02 ppm1      7.664 ppm2      3.865 CV     1
 ASSI {  527}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.600     1.600     1.600 peak   527 spectrum    1 weight  0.11000E+01 volume  0.10214E-02 ppm1      7.663 ppm2      3.634 CV     1
 ASSI {  528}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 46   and name HD2 ))
      4.900     3.000     1.100 peak   528 spectrum    1 weight  0.11000E+01 volume  0.13525E-03 ppm1      7.662 ppm2      2.895 CV     1
 ASSI {  530}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HB% )
      3.000     1.100     1.100 peak   530 spectrum    1 weight  0.11000E+01 volume  0.24431E-02 ppm1      7.663 ppm2      1.463 CV     1
 ASSI {  532}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      5.500     5.500     0.500 peak   532 spectrum    1 weight  0.11000E+01 volume  0.19506E-03 ppm1      7.665 ppm2      0.259 CV     1
 ASSI {  533}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak   533 spectrum    1 weight  0.11000E+01 volume  0.56334E-03 ppm1      8.237 ppm2      7.420 CV     1
 ASSI {  535}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD% )
      3.500     1.500     1.500 peak   535 spectrum    1 weight  0.11000E+01 volume  0.47388E-03 ppm1      8.234 ppm2      7.032 CV     1
 ASSI {  537}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      5.500     3.700     0.500 peak   537 spectrum    1 weight  0.11000E+01 volume  0.92908E-04 ppm1      7.660 ppm2      8.102 CV     1
 ASSI {  538}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      5.600     4.000     0.400 peak   538 spectrum    1 weight  0.11000E+01 volume  0.19945E-03 ppm1      7.658 ppm2      8.371 CV     1
 ASSI {  539}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.400     2.400     1.600 peak   539 spectrum    1 weight  0.11000E+01 volume  0.28874E-03 ppm1      7.660 ppm2      8.663 CV     1
 ASSI {  540}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.100     2.100     1.900 peak   540 spectrum    1 weight  0.11000E+01 volume  0.73676E-03 ppm1      7.660 ppm2      8.898 CV     1
 ASSI {  541}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     0.900     0.900 peak   541 spectrum    1 weight  0.11000E+01 volume  0.29001E-02 ppm1      8.899 ppm2      7.697 CV     1
 ASSI {  543}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.000     0.500     0.500 peak   543 spectrum    1 weight  0.11000E+01 volume  0.11499E-01 ppm1      7.771 ppm2      7.907 CV     1
 ASSI {  545}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 23   and name HD% )
      5.000     5.000     1.000 peak   545 spectrum    1 weight  0.11000E+01 volume  0.38136E-03 ppm1      7.771 ppm2      7.284 CV     1
 ASSI {  546}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      5.000     3.100     1.000 peak   546 spectrum    1 weight  0.11000E+01 volume  0.31823E-03 ppm1      8.901 ppm2      8.102 CV     1
 ASSI {  549}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.000     1.000 peak   549 spectrum    1 weight  0.11000E+01 volume  0.18520E-02 ppm1      7.802 ppm2      8.418 CV     1
 ASSI {  550}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     5.200     0.000 peak   550 spectrum    1 weight  0.11000E+01 volume  0.21896E-04 ppm1      8.479 ppm2      8.117 CV     1
 ASSI {  556}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 29   and name HD22))
      5.200     3.400     0.800 peak   556 spectrum    1 weight  0.11000E+01 volume  0.69722E-04 ppm1      7.788 ppm2      6.682 CV     1
 ASSI {  558}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 29   and name HD21))
      5.100     3.200     0.900 peak   558 spectrum    1 weight  0.11000E+01 volume  0.37450E-03 ppm1      7.787 ppm2      7.379 CV     1
 ASSI {  559}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.800     0.800 peak   559 spectrum    1 weight  0.11000E+01 volume  0.21626E-02 ppm1      7.788 ppm2      9.104 CV     1
 ASSI {  560}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HE21))
      4.700     2.800     1.300 peak   560 spectrum    1 weight  0.11000E+01 volume  0.25668E-03 ppm1      7.924 ppm2      7.661 CV     1
 ASSI {  561}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HE22))
      6.000     6.000     0.000 peak   561 spectrum    1 weight  0.11000E+01 volume  0.59017E-04 ppm1      7.924 ppm2      6.918 CV     1
 ASSI {  565}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HD22))
      5.300     3.500     0.700 peak   565 spectrum    1 weight  0.11000E+01 volume  0.39908E-03 ppm1      8.345 ppm2      7.047 CV     1
 ASSI {  566}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.500     2.600     1.500 peak   566 spectrum    1 weight  0.11000E+01 volume  0.22362E-03 ppm1      8.345 ppm2      8.788 CV     1
 ASSI {  567}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 11   and name HZ  ))
      5.400     3.700     0.600 peak   567 spectrum    1 weight  0.11000E+01 volume  0.21652E-03 ppm1      8.096 ppm2      7.191 CV     1
 ASSI {  568}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.300     1.700 peak   568 spectrum    1 weight  0.11000E+01 volume  0.60866E-03 ppm1      8.096 ppm2      7.731 CV     1
 ASSI {  569}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak   569 spectrum    1 weight  0.11000E+01 volume  0.18885E-02 ppm1      8.095 ppm2      8.660 CV     1
 ASSI {  570}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     1.000     1.000 peak   570 spectrum    1 weight  0.11000E+01 volume  0.21962E-02 ppm1      7.493 ppm2      7.255 CV     1
 ASSI {  572}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.800     0.800 peak   572 spectrum    1 weight  0.11000E+01 volume  0.31142E-02 ppm1      7.495 ppm2      8.389 CV     1
 ASSI {  575}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.400     2.400     1.600 peak   575 spectrum    1 weight  0.11000E+01 volume  0.34277E-03 ppm1      7.950 ppm2      7.676 CV     1
 ASSI {  576}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 29   and name HD21))
      4.300     2.300     1.700 peak   576 spectrum    1 weight  0.11000E+01 volume  0.21889E-03 ppm1      7.951 ppm2      7.393 CV     1
 ASSI {  577}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HD22))
      3.700     3.700     2.300 peak   577 spectrum    1 weight  0.11000E+01 volume  0.21197E-03 ppm1      7.952 ppm2      7.053 CV     1
 ASSI {  578}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 29   and name HD22))
      4.400     2.400     1.600 peak   578 spectrum    1 weight  0.11000E+01 volume  0.28448E-03 ppm1      7.952 ppm2      6.672 CV     1
 ASSI {  579}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      4.400     2.400     1.600 peak   579 spectrum    1 weight  0.11000E+01 volume  0.19130E-03 ppm1      9.075 ppm2      8.774 CV     1
 ASSI {  580}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      5.700     4.100     0.300 peak   580 spectrum    1 weight  0.11000E+01 volume  0.43332E-04 ppm1      9.074 ppm2      8.247 CV     1
 ASSI {  581}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      5.200     3.400     0.800 peak   581 spectrum    1 weight  0.11000E+01 volume  0.11447E-03 ppm1      9.073 ppm2      7.889 CV     1
 ASSI {  582}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak   582 spectrum    1 weight  0.11000E+01 volume  0.10015E-02 ppm1      9.072 ppm2      7.416 CV     1
 ASSI {  583}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HE22))
      6.000     5.700     0.000 peak   583 spectrum    1 weight  0.11000E+01 volume  0.78961E-04 ppm1      9.068 ppm2      6.933 CV     1
 ASSI {  586}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.500     3.500     2.500 peak   586 spectrum    1 weight  0.11000E+01 volume  0.23605E-03 ppm1      7.804 ppm2      7.279 CV     1
 ASSI {  590}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      5.000     3.200     1.000 peak   590 spectrum    1 weight  0.11000E+01 volume  0.13086E-03 ppm1      8.422 ppm2      7.498 CV     1
 ASSI {  591}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.700     2.800     1.300 peak   591 spectrum    1 weight  0.11000E+01 volume  0.18134E-03 ppm1      8.422 ppm2      7.269 CV     1
 ASSI {  593}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      5.000     3.100     1.000 peak   593 spectrum    1 weight  0.11000E+01 volume  0.12395E-03 ppm1      8.274 ppm2      8.102 CV     1
 ASSI {  594}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.900     3.000     1.100 peak   594 spectrum    1 weight  0.11000E+01 volume  0.14898E-03 ppm1      8.278 ppm2      7.958 CV     1
 ASSI {  595}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      4.200     2.200     1.800 peak   595 spectrum    1 weight  0.11000E+01 volume  0.29690E-03 ppm1      8.279 ppm2      7.500 CV     1
 ASSI {  598}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.800     0.800 peak   598 spectrum    1 weight  0.11000E+01 volume  0.26464E-02 ppm1      7.674 ppm2      8.344 CV     1
 ASSI {  599}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.900     3.000     1.100 peak   599 spectrum    1 weight  0.11000E+01 volume  0.19676E-03 ppm1      7.674 ppm2      8.788 CV     1
 ASSI {  601}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 23   and name HD% )
      4.700     4.700     1.300 peak   601 spectrum    1 weight  0.11000E+01 volume  0.48249E-03 ppm1      7.674 ppm2      7.288 CV     1
 ASSI {  603}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   603 spectrum    1 weight  0.11000E+01 volume  0.13471E-02 ppm1      7.674 ppm2      7.918 CV     1
 ASSI {  605}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   605 spectrum    1 weight  0.11000E+01 volume  0.23878E-02 ppm1      8.785 ppm2      8.331 CV     1
 ASSI {  606}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   606 spectrum    1 weight  0.11000E+01 volume  0.34230E-02 ppm1      8.785 ppm2      7.936 CV     1
 ASSI {  607}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 29   and name HD21))
      4.600     2.600     1.400 peak   607 spectrum    1 weight  0.11000E+01 volume  0.33955E-03 ppm1      8.784 ppm2      7.389 CV     1
 ASSI {  611}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 11   and name HZ  ))
      4.500     2.500     1.500 peak   611 spectrum    1 weight  0.11000E+01 volume  0.59819E-03 ppm1      8.661 ppm2      7.190 CV     1
 ASSI {  612}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 11   and name HE% )
      4.400     2.400     1.600 peak   612 spectrum    1 weight  0.11000E+01 volume  0.54913E-03 ppm1      8.658 ppm2      6.937 CV     1
 ASSI {  613}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak   613 spectrum    1 weight  0.11000E+01 volume  0.10257E-02 ppm1      8.641 ppm2      8.320 CV     1
 ASSI {  615}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak   615 spectrum    1 weight  0.11000E+01 volume  0.69474E-02 ppm1      8.645 ppm2      8.453 CV     1
 ASSI {  617}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.300     1.300     1.300 peak   617 spectrum    1 weight  0.11000E+01 volume  0.13634E-02 ppm1      8.646 ppm2      7.922 CV     1
 ASSI {  618}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.900     0.900 peak   618 spectrum    1 weight  0.11000E+01 volume  0.32647E-02 ppm1      8.645 ppm2      7.643 CV     1
 ASSI {  619}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HD21))
      4.600     2.600     1.400 peak   619 spectrum    1 weight  0.11000E+01 volume  0.31374E-03 ppm1      8.646 ppm2      7.387 CV     1
 ASSI {  620}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HD22))
      4.300     2.300     1.700 peak   620 spectrum    1 weight  0.11000E+01 volume  0.32931E-03 ppm1      8.644 ppm2      6.679 CV     1
 ASSI {  622}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   622 spectrum    1 weight  0.11000E+01 volume  0.18923E-02 ppm1      8.455 ppm2      7.924 CV     1
 ASSI {  623}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.800     1.900     1.900 peak   623 spectrum    1 weight  0.11000E+01 volume  0.51847E-03 ppm1      8.454 ppm2      7.645 CV     1
 ASSI {  624}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HD21))
      5.100     3.200     0.900 peak   624 spectrum    1 weight  0.11000E+01 volume  0.30895E-03 ppm1      8.454 ppm2      7.397 CV     1
 ASSI {  627}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      5.600     4.000     0.400 peak   627 spectrum    1 weight  0.11000E+01 volume  0.80742E-04 ppm1      8.329 ppm2      9.334 CV     1
 ASSI {  629}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak   629 spectrum    1 weight  0.11000E+01 volume  0.32666E-02 ppm1      8.328 ppm2      7.886 CV     1
 ASSI {  631}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.700     0.000 peak   631 spectrum    1 weight  0.11000E+01 volume  0.36590E-04 ppm1      8.390 ppm2      7.799 CV     1
 ASSI {  640}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.300     0.700     0.700 peak   640 spectrum    1 weight  0.11000E+01 volume  0.50576E-02 ppm1      8.369 ppm2      8.250 CV     1
 ASSI {  642}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.600     1.600     1.600 peak   642 spectrum    1 weight  0.11000E+01 volume  0.83975E-03 ppm1      8.369 ppm2      7.959 CV     1
 ASSI {  644}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      5.000     3.100     1.000 peak   644 spectrum    1 weight  0.11000E+01 volume  0.14274E-03 ppm1      8.365 ppm2      7.500 CV     1
 ASSI {  645}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak   645 spectrum    1 weight  0.11000E+01 volume  0.47189E-03 ppm1      8.367 ppm2      7.255 CV     1
 ASSI {  646}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.700     2.800     1.300 peak   646 spectrum    1 weight  0.11000E+01 volume  0.19070E-03 ppm1      8.369 ppm2      6.879 CV     1
 ASSI {  647}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.800     2.800     1.200 peak   647 spectrum    1 weight  0.11000E+01 volume  0.16309E-03 ppm1      9.099 ppm2      8.651 CV     1
 ASSI {  648}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak   648 spectrum    1 weight  0.11000E+01 volume  0.56298E-03 ppm1      9.099 ppm2      8.409 CV     1
 ASSI {  651}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 29   and name HD21))
      5.000     3.200     1.000 peak   651 spectrum    1 weight  0.11000E+01 volume  0.27607E-03 ppm1      9.101 ppm2      7.388 CV     1
 ASSI {  652}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HD22))
      5.400     3.600     0.600 peak   652 spectrum    1 weight  0.11000E+01 volume  0.26150E-03 ppm1      9.098 ppm2      7.089 CV     1
 ASSI {  653}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 29   and name HD22))
      3.800     1.800     1.800 peak   653 spectrum    1 weight  0.11000E+01 volume  0.32244E-03 ppm1      9.100 ppm2      6.679 CV     1
 ASSI {  655}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      5.600     3.900     0.400 peak   655 spectrum    1 weight  0.11000E+01 volume  0.12143E-03 ppm1      8.407 ppm2      7.798 CV     1
 ASSI {  656}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.600     2.700     1.400 peak   656 spectrum    1 weight  0.11000E+01 volume  0.26773E-03 ppm1      8.408 ppm2      7.641 CV     1
 ASSI {  657}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 29   and name HD21))
      5.800     4.200     0.200 peak   657 spectrum    1 weight  0.11000E+01 volume  0.66899E-04 ppm1      8.405 ppm2      7.402 CV     1
 ASSI {  658}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HD22))
      6.000     6.000     0.000 peak   658 spectrum    1 weight  0.11000E+01 volume  0.50729E-04 ppm1      8.402 ppm2      7.066 CV     1
 ASSI {  659}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 29   and name HD22))
      5.800     4.200     0.200 peak   659 spectrum    1 weight  0.11000E+01 volume  0.44913E-04 ppm1      8.409 ppm2      6.684 CV     1
 ASSI {  660}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      4.700     2.700     1.300 peak   660 spectrum    1 weight  0.11000E+01 volume  0.21350E-03 ppm1      8.924 ppm2      8.372 CV     1
 ASSI {  661}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.700     1.700     1.700 peak   661 spectrum    1 weight  0.11000E+01 volume  0.90505E-03 ppm1      8.924 ppm2      8.119 CV     1
 ASSI {  662}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak   662 spectrum    1 weight  0.11000E+01 volume  0.25217E-02 ppm1      8.924 ppm2      7.966 CV     1
 ASSI {  663}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 14   and name HE22))
      5.200     3.400     0.800 peak   663 spectrum    1 weight  0.11000E+01 volume  0.20979E-03 ppm1      8.920 ppm2      7.397 CV     1
 ASSI {  664}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.600     1.600     1.600 peak   664 spectrum    1 weight  0.11000E+01 volume  0.84747E-03 ppm1      8.924 ppm2      6.880 CV     1
 ASSI {  665}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.000     1.000 peak   665 spectrum    1 weight  0.11000E+01 volume  0.15057E-02 ppm1      9.324 ppm2      9.070 CV     1
 ASSI {  666}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     1.100     1.100 peak   666 spectrum    1 weight  0.11000E+01 volume  0.14345E-02 ppm1      9.327 ppm2      8.778 CV     1
 ASSI {  668}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.500     2.500     1.500 peak   668 spectrum    1 weight  0.11000E+01 volume  0.35298E-03 ppm1      9.329 ppm2      7.889 CV     1
 ASSI {  669}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.200     2.200     1.800 peak   669 spectrum    1 weight  0.11000E+01 volume  0.32385E-03 ppm1      9.326 ppm2      7.403 CV     1
 ASSI {  672}
   (( segid "    " and resid 14   and name HE22))
   (( segid "    " and resid 14   and name HN  ))
      6.000     6.000     0.000 peak   672 spectrum    1 weight  0.11000E+01 volume  0.20888E-04 ppm1      7.391 ppm2      9.330 CV     1
 ASSI {  676}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.600     0.000 peak   676 spectrum    1 weight  0.11000E+01 volume  0.65713E-04 ppm1      7.969 ppm2      7.249 CV     1
 ASSI {  677}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HD22))
      4.200     2.200     1.800 peak   677 spectrum    1 weight  0.11000E+01 volume  0.64482E-03 ppm1      7.966 ppm2      6.978 CV     1
 ASSI {  678}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.600     0.000 peak   678 spectrum    1 weight  0.11000E+01 volume  0.10642E-03 ppm1      7.748 ppm2      8.909 CV     1
 ASSI {  682}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 46   and name HH21))
      4.900     3.000     1.100 peak   682 spectrum    1 weight  0.11000E+01 volume  0.36094E-03 ppm1      7.748 ppm2      6.920 CV     1
 ASSI {  685}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak   685 spectrum    1 weight  0.11000E+01 volume  0.23070E-02 ppm1      7.883 ppm2      8.780 CV     1
 ASSI {  688}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.200     2.200     1.800 peak   688 spectrum    1 weight  0.11000E+01 volume  0.45390E-03 ppm1      8.080 ppm2      8.657 CV     1
 ASSI {  689}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.900     1.900     1.900 peak   689 spectrum    1 weight  0.11000E+01 volume  0.45611E-03 ppm1      8.079 ppm2      8.445 CV     1
 ASSI {  690}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak   690 spectrum    1 weight  0.11000E+01 volume  0.18586E-02 ppm1      8.080 ppm2      7.919 CV     1
 ASSI {  691}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.200     3.200     2.800 peak   691 spectrum    1 weight  0.11000E+01 volume  0.42883E-03 ppm1      8.081 ppm2      7.687 CV     1
 ASSI {  693}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HE22))
      5.500     3.800     0.500 peak   693 spectrum    1 weight  0.11000E+01 volume  0.28235E-03 ppm1      8.079 ppm2      6.921 CV     1
 ASSI {  694}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     6.000     0.000 peak   694 spectrum    1 weight  0.11000E+01 volume  0.26001E-04 ppm1      7.897 ppm2      9.104 CV     1
 ASSI {  695}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     5.400     0.000 peak   695 spectrum    1 weight  0.11000E+01 volume  0.71859E-04 ppm1      7.892 ppm2      8.791 CV     1
 ASSI {  697}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 29   and name HD21))
      4.100     2.100     1.900 peak   697 spectrum    1 weight  0.11000E+01 volume  0.14561E-02 ppm1      7.893 ppm2      7.383 CV     1
 ASSI {  699}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 29   and name HD22))
      4.500     2.500     1.500 peak   699 spectrum    1 weight  0.11000E+01 volume  0.33026E-03 ppm1      7.894 ppm2      6.679 CV     1
 ASSI {  700}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      5.800     4.300     0.200 peak   700 spectrum    1 weight  0.11000E+01 volume  0.12186E-03 ppm1      7.638 ppm2      9.105 CV     1
 ASSI {  702}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.800     0.800 peak   702 spectrum    1 weight  0.11000E+01 volume  0.38413E-02 ppm1      7.637 ppm2      8.329 CV     1
 ASSI {  705}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 29   and name HD21))
      2.300     0.600     0.600 peak   705 spectrum    1 weight  0.11000E+01 volume  0.24190E-02 ppm1      6.678 ppm2      7.393 CV     1
 ASSI {  707}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 30   and name HN  ))
      4.600     2.600     1.400 peak   707 spectrum    1 weight  0.11000E+01 volume  0.48132E-04 ppm1      6.684 ppm2      8.437 CV     1
 ASSI {  712}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak   712 spectrum    1 weight  0.11000E+01 volume  0.90415E-03 ppm1      6.880 ppm2      7.695 CV     1
 ASSI {  713}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.700     2.700     1.300 peak   713 spectrum    1 weight  0.11000E+01 volume  0.30869E-03 ppm1      6.879 ppm2      7.970 CV     1
 ASSI {  714}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.500     2.500     1.500 peak   714 spectrum    1 weight  0.11000E+01 volume  0.43150E-03 ppm1      6.879 ppm2      8.109 CV     1
 ASSI {  716}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak   716 spectrum    1 weight  0.11000E+01 volume  0.38382E-02 ppm1      6.879 ppm2      8.908 CV     1
 ASSI {  717}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak   717 spectrum    1 weight  0.11000E+01 volume  0.49773E-02 ppm1      8.116 ppm2      8.367 CV     1
 ASSI {  718}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak   718 spectrum    1 weight  0.11000E+01 volume  0.53795E-02 ppm1      8.114 ppm2      7.962 CV     1
 ASSI {  719}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.700     2.700     1.300 peak   719 spectrum    1 weight  0.11000E+01 volume  0.23944E-03 ppm1      8.113 ppm2      7.258 CV     1
 ASSI {  721}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HD22))
      5.700     4.000     0.300 peak   721 spectrum    1 weight  0.11000E+01 volume  0.27027E-03 ppm1      8.112 ppm2      6.975 CV     1
 ASSI {  722}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     5.300     0.000 peak   722 spectrum    1 weight  0.11000E+01 volume  0.21170E-04 ppm1      7.801 ppm2      7.481 CV     1
 ASSI {  723}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.900     1.900     1.900 peak   723 spectrum    1 weight  0.11000E+01 volume  0.20194E-02 ppm1      8.663 ppm2      4.137 CV     1
 ASSI {  726}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      4.000     2.000     2.000 peak   726 spectrum    1 weight  0.11000E+01 volume  0.11150E-02 ppm1      9.327 ppm2      2.704 CV     1
 ASSI {  727}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      2.700     0.900     0.900 peak   727 spectrum    1 weight  0.11000E+01 volume  0.45958E-02 ppm1      8.328 ppm2      2.343 CV     1
 ASSI {  728}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.500     1.600     1.600 peak   728 spectrum    1 weight  0.11000E+01 volume  0.32528E-02 ppm1      8.328 ppm2      2.492 CV     1
 ASSI {  733}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.300     0.700     0.700 peak   733 spectrum    1 weight  0.11000E+01 volume  0.37256E-02 ppm1      8.454 ppm2      3.894 CV     1
 ASSI {  734}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HD1%)
      3.000     1.100     1.100 peak   734 spectrum    1 weight  0.11000E+01 volume  0.44424E-02 ppm1      8.455 ppm2      0.948 CV     1
 ASSI {  735}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.800     2.900     1.200 peak   735 spectrum    1 weight  0.11000E+01 volume  0.43122E-03 ppm1      8.279 ppm2      3.899 CV     1
 ASSI {  737}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      2.300     0.700     0.700 peak   737 spectrum    1 weight  0.11000E+01 volume  0.55951E-02 ppm1      8.776 ppm2      1.685 CV     1
 ASSI {  738}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.400     2.500     1.600 peak   738 spectrum    1 weight  0.11000E+01 volume  0.22169E-03 ppm1      8.425 ppm2      3.006 CV     1
 ASSI {  740}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HG12))
      3.300     1.300     1.300 peak   740 spectrum    1 weight  0.11000E+01 volume  0.27186E-02 ppm1      8.279 ppm2      1.588 CV     1
 ASSI {  741}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.100     1.200     1.200 peak   741 spectrum    1 weight  0.11000E+01 volume  0.42906E-02 ppm1      8.321 ppm2      2.013 CV     1
 ASSI {  742}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      4.100     2.100     1.900 peak   742 spectrum    1 weight  0.11000E+01 volume  0.70863E-03 ppm1      8.344 ppm2      1.935 CV     1
 ASSI {  743}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      5.100     3.300     0.900 peak   743 spectrum    1 weight  0.11000E+01 volume  0.86753E-03 ppm1      8.345 ppm2      2.351 CV     1
 ASSI {  744}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA1 ))
      2.900     1.100     1.100 peak   744 spectrum    1 weight  0.11000E+01 volume  0.34852E-02 ppm1      8.899 ppm2      2.492 CV     1
 ASSI {  746}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.200     2.200     1.800 peak   746 spectrum    1 weight  0.11000E+01 volume  0.24295E-03 ppm1      7.983 ppm2      2.133 CV     1
 ASSI {  747}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.400     3.400     2.600 peak   747 spectrum    1 weight  0.11000E+01 volume  0.29282E-03 ppm1      7.985 ppm2      2.048 CV     1
 ASSI {  750}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.500     2.600     1.500 peak   750 spectrum    1 weight  0.11000E+01 volume  0.53845E-03 ppm1      7.786 ppm2      3.355 CV     1
 ASSI {  751}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HA2 ))
      6.000     4.500     0.000 peak   751 spectrum    1 weight  0.11000E+01 volume  0.69532E-04 ppm1      7.793 ppm2      4.104 CV     1
 ASSI {  752}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   752 spectrum    1 weight  0.11000E+01 volume  0.23604E-02 ppm1      8.095 ppm2      3.897 CV     1
 ASSI {  753}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.500     1.600     1.600 peak   753 spectrum    1 weight  0.11000E+01 volume  0.10130E-02 ppm1      8.115 ppm2      4.569 CV     1
 ASSI {  754}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      5.000     3.100     1.000 peak   754 spectrum    1 weight  0.11000E+01 volume  0.13874E-03 ppm1      8.368 ppm2      4.338 CV     1
 ASSI {  755}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      4.100     2.100     1.900 peak   755 spectrum    1 weight  0.11000E+01 volume  0.42432E-03 ppm1      7.258 ppm2      4.341 CV     1
 ASSI {  756}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
      4.800     2.900     1.200 peak   756 spectrum    1 weight  0.11000E+01 volume  0.53259E-03 ppm1      7.496 ppm2      3.126 CV     1
 ASSI {  759}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     1.000     1.000 peak   759 spectrum    1 weight  0.11000E+01 volume  0.34790E-02 ppm1      8.118 ppm2      8.510 CV     1
 ASSI {  762}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak   762 spectrum    1 weight  0.11000E+01 volume  0.12172E-02 ppm1      7.985 ppm2      8.327 CV     1
 ASSI {  764}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HN  ))
      6.000     5.200     0.000 peak   764 spectrum    1 weight  0.11000E+01 volume  0.67291E-04 ppm1      7.293 ppm2      8.330 CV     1
 ASSI {  765}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HN  ))
      6.000     6.000     0.000 peak   765 spectrum    1 weight  0.11000E+01 volume  0.25565E-04 ppm1      6.832 ppm2      8.330 CV     1
 ASSI {  766}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HA  ))
      5.300     3.500     0.700 peak   766 spectrum    1 weight  0.11000E+01 volume  0.32555E-03 ppm1      7.294 ppm2      4.074 CV     1
 ASSI {  767}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HA  ))
      6.000     5.500     0.000 peak   767 spectrum    1 weight  0.11000E+01 volume  0.17237E-03 ppm1      6.832 ppm2      4.066 CV     1
 ASSI {  769}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG1 ))
      3.400     1.400     1.400 peak   769 spectrum    1 weight  0.11000E+01 volume  0.15418E-02 ppm1      7.294 ppm2      2.355 CV     1
 ASSI {  770}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HB2 ))
      3.100     1.200     1.200 peak   770 spectrum    1 weight  0.11000E+01 volume  0.61749E-03 ppm1      7.293 ppm2      2.162 CV     1
 ASSI {  773}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HB2 ))
      5.000     3.200     1.000 peak   773 spectrum    1 weight  0.11000E+01 volume  0.30069E-03 ppm1      6.830 ppm2      2.150 CV     1
 ASSI {  776}
   (( segid "    " and resid 17   and name HE21))
   (  segid "    " and resid 40   and name HG2%)
      3.800     1.800     1.800 peak   776 spectrum    1 weight  0.11000E+01 volume  0.66741E-03 ppm1      7.294 ppm2      0.845 CV     1
 ASSI {  777}
   (( segid "    " and resid 17   and name HE22))
   (  segid "    " and resid 40   and name HG2%)
      3.300     1.400     1.400 peak   777 spectrum    1 weight  0.11000E+01 volume  0.63314E-03 ppm1      6.830 ppm2      0.848 CV     1
 ASSI {  778}
   (( segid "    " and resid 17   and name HE21))
   (  segid "    " and resid 18   and name HD1%)
      6.000     6.000     0.000 peak   778 spectrum    1 weight  0.11000E+01 volume  0.11444E-04 ppm1      7.293 ppm2      0.535 CV     1
 ASSI {  779}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA1 ))
      2.800     1.000     1.000 peak   779 spectrum    1 weight  0.11000E+01 volume  0.50075E-02 ppm1      6.875 ppm2      2.508 CV     1
 ASSI {  780}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      5.400     3.700     0.600 peak   780 spectrum    1 weight  0.11000E+01 volume  0.80589E-04 ppm1      8.091 ppm2      8.430 CV     1
 ASSI {  781}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.400     2.400     1.600 peak   781 spectrum    1 weight  0.11000E+01 volume  0.28772E-03 ppm1      8.095 ppm2      7.915 CV     1
 ASSI {  782}
   (( segid "    " and resid 41   and name HD22))
   (( segid "    " and resid 41   and name HA  ))
      4.900     3.000     1.100 peak   782 spectrum    1 weight  0.11000E+01 volume  0.42887E-03 ppm1      6.981 ppm2      4.349 CV     1
 ASSI {  783}
   (( segid "    " and resid 41   and name HD22))
   (( segid "    " and resid 41   and name HB2 ))
      3.800     1.800     1.800 peak   783 spectrum    1 weight  0.11000E+01 volume  0.20775E-02 ppm1      6.981 ppm2      2.859 CV     1
 ASSI {  785}
   (( segid "    " and resid 41   and name HD22))
   (  segid "    " and resid 40   and name HG2%)
      4.000     2.000     2.000 peak   785 spectrum    1 weight  0.11000E+01 volume  0.66534E-03 ppm1      6.978 ppm2      0.864 CV     1
 ASSI {  788}
   (( segid "    " and resid 41   and name HD22))
   (( segid "    " and resid 40   and name HN  ))
      5.600     3.900     0.400 peak   788 spectrum    1 weight  0.11000E+01 volume  0.10902E-03 ppm1      6.985 ppm2      8.922 CV     1
 ASSI {  789}
   (( segid "    " and resid 41   and name HD22))
   (  segid "    " and resid 42   and name HB% )
      6.000     6.000     0.000 peak   789 spectrum    1 weight  0.11000E+01 volume  0.20976E-04 ppm1      6.986 ppm2      1.383 CV     1
 ASSI {  792}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HE21))
      5.700     4.100     0.300 peak   792 spectrum    1 weight  0.11000E+01 volume  0.16436E-04 ppm1      9.070 ppm2      7.682 CV     1
 ASSI {  793}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     5.800     0.000 peak   793 spectrum    1 weight  0.11000E+01 volume  0.37493E-04 ppm1      9.073 ppm2      3.454 CV     1
 ASSI {  794}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.400     0.000 peak   794 spectrum    1 weight  0.11000E+01 volume  0.89517E-04 ppm1      9.072 ppm2      2.727 CV     1
 ASSI {  797}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HE22))
      6.000     6.000     0.000 peak   797 spectrum    1 weight  0.11000E+01 volume  0.53655E-04 ppm1      9.321 ppm2      6.928 CV     1
 ASSI {  798}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 26   and name HH22))
      5.700     4.000     0.300 peak   798 spectrum    1 weight  0.11000E+01 volume  0.18986E-03 ppm1      8.784 ppm2      7.132 CV     1
 ASSI {  799}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      5.100     3.300     0.900 peak   799 spectrum    1 weight  0.11000E+01 volume  0.24477E-04 ppm1      7.881 ppm2      7.407 CV     1
 ASSI {  804}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      5.900     4.400     0.100 peak   804 spectrum    1 weight  0.11000E+01 volume  0.12611E-03 ppm1      7.881 ppm2      2.767 CV     1
 ASSI {  805}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     6.000     0.000 peak   805 spectrum    1 weight  0.11000E+01 volume  0.48064E-04 ppm1      7.884 ppm2      0.244 CV     1
 ASSI {  807}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HE22))
      6.000     6.000     0.000 peak   807 spectrum    1 weight  0.11000E+01 volume  0.14455E-03 ppm1      8.328 ppm2      6.947 CV     1
 ASSI {  809}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 16   and name HA  ))
      5.700     4.000     0.300 peak   809 spectrum    1 weight  0.11000E+01 volume  0.30247E-03 ppm1      7.036 ppm2      4.122 CV     1
 ASSI {  810}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HB2 ))
      4.300     2.400     1.700 peak   810 spectrum    1 weight  0.11000E+01 volume  0.10290E-02 ppm1      7.036 ppm2      2.922 CV     1
 ASSI {  812}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 16   and name HB1 ))
      4.400     4.400     1.600 peak   812 spectrum    1 weight  0.11000E+01 volume  0.65911E-04 ppm1      7.030 ppm2      2.226 CV     1
 ASSI {  813}
   (( segid "    " and resid 19   and name HD22))
   (  segid "    " and resid 24   and name HD1%)
      4.300     4.300     1.700 peak   813 spectrum    1 weight  0.11000E+01 volume  0.51076E-03 ppm1      7.034 ppm2      0.827 CV     1
 ASSI {  814}
   (( segid "    " and resid 19   and name HD21))
   (  segid "    " and resid 24   and name HD1%)
      4.100     4.100     1.900 peak   814 spectrum    1 weight  0.11000E+01 volume  0.85396E-03 ppm1      7.948 ppm2      0.841 CV     1
 ASSI {  815}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 16   and name HB2 ))
      3.400     3.400     2.600 peak   815 spectrum    1 weight  0.11000E+01 volume  0.29566E-03 ppm1      7.944 ppm2      2.231 CV     1
 ASSI {  816}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HB1 ))
      2.500     0.800     0.800 peak   816 spectrum    1 weight  0.11000E+01 volume  0.22234E-02 ppm1      7.950 ppm2      2.758 CV     1
 ASSI {  817}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HB2 ))
      3.300     1.400     1.400 peak   817 spectrum    1 weight  0.11000E+01 volume  0.30439E-02 ppm1      7.949 ppm2      2.907 CV     1
 ASSI {  818}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 16   and name HA  ))
      4.300     2.300     1.700 peak   818 spectrum    1 weight  0.11000E+01 volume  0.84070E-03 ppm1      7.950 ppm2      4.137 CV     1
 ASSI {  819}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HA  ))
      3.500     1.500     1.500 peak   819 spectrum    1 weight  0.11000E+01 volume  0.12842E-02 ppm1      7.951 ppm2      4.393 CV     1
 ASSI {  820}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   820 spectrum    1 weight  0.11000E+01 volume  0.34807E-02 ppm1      8.345 ppm2      7.951 CV     1
 ASSI {  822}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 29   and name HD21))
      6.000     6.000     0.000 peak   822 spectrum    1 weight  0.11000E+01 volume  0.48790E-04 ppm1      8.338 ppm2      7.349 CV     1
 ASSI {  823}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 29   and name HD22))
      6.000     5.100     0.000 peak   823 spectrum    1 weight  0.11000E+01 volume  0.61736E-04 ppm1      8.343 ppm2      6.678 CV     1
 ASSI {  824}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      4.600     2.700     1.400 peak   824 spectrum    1 weight  0.11000E+01 volume  0.31338E-03 ppm1      7.768 ppm2      8.346 CV     1
 ASSI {  826}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 29   and name HD22))
      6.000     6.000     0.000 peak   826 spectrum    1 weight  0.11000E+01 volume  0.38049E-04 ppm1      7.769 ppm2      6.674 CV     1
 ASSI {  828}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.500     0.000 peak   828 spectrum    1 weight  0.11000E+01 volume  0.45543E-04 ppm1      8.413 ppm2      8.653 CV     1
 ASSI {  829}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     6.000     0.000 peak   829 spectrum    1 weight  0.11000E+01 volume  0.68549E-05 ppm1      8.412 ppm2      4.449 CV     1
 ASSI {  831}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HD22))
      5.800     4.200     0.200 peak   831 spectrum    1 weight  0.11000E+01 volume  0.14117E-03 ppm1      8.314 ppm2      7.089 CV     1
 ASSI {  832}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     5.400     0.000 peak   832 spectrum    1 weight  0.11000E+01 volume  0.42404E-04 ppm1      8.322 ppm2      9.100 CV     1
 ASSI {  834}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 47   and name HD2%)
      6.000     6.000     0.000 peak   834 spectrum    1 weight  0.11000E+01 volume  0.18847E-04 ppm1      7.640 ppm2      0.270 CV     1
 ASSI {  842}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.500     2.600     1.500 peak   842 spectrum    1 weight  0.11000E+01 volume  0.48434E-03 ppm1      7.667 ppm2      6.885 CV     1
 ASSI {  845}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.900     1.900     1.900 peak   845 spectrum    1 weight  0.11000E+01 volume  0.92529E-03 ppm1      7.260 ppm2      8.406 CV     1
 ASSI {  846}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.500     0.800     0.800 peak   846 spectrum    1 weight  0.11000E+01 volume  0.33748E-02 ppm1      7.258 ppm2      8.287 CV     1
 ASSI {  847}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      6.000     4.600     0.000 peak   847 spectrum    1 weight  0.11000E+01 volume  0.59621E-04 ppm1      7.663 ppm2      0.077 CV     1
 ASSI {  848}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
      6.000     6.000     0.000 peak   848 spectrum    1 weight  0.11000E+01 volume  0.48470E-05 ppm1      7.667 ppm2      3.117 CV     1
 ASSI {  850}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 14   and name HE21))
      5.600     4.000     0.400 peak   850 spectrum    1 weight  0.11000E+01 volume  0.16434E-03 ppm1      8.899 ppm2      7.976 CV     1
 ASSI {  851}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     6.000     0.000 peak   851 spectrum    1 weight  0.11000E+01 volume  0.18146E-04 ppm1      8.897 ppm2      8.374 CV     1
 ASSI {  852}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 11   and name HD% )
      4.000     4.000     2.000 peak   852 spectrum    1 weight  0.11000E+01 volume  0.54720E-03 ppm1      8.898 ppm2      7.069 CV     1
 ASSI {  854}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   854 spectrum    1 weight  0.11000E+01 volume  0.95005E-05 ppm1      6.685 ppm2      8.787 CV     1
 ASSI {  859}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 19   and name HA  ))
      5.100     5.100     0.900 peak   859 spectrum    1 weight  0.11000E+01 volume  0.72526E-04 ppm1      6.672 ppm2      4.422 CV     1
 ASSI {  860}
   (( segid "    " and resid 29   and name HD22))
   (( segid "    " and resid 29   and name HA  ))
      6.000     6.000     0.000 peak   860 spectrum    1 weight  0.11000E+01 volume  0.24807E-04 ppm1      6.680 ppm2      4.109 CV     1
 ASSI {  861}
   (( segid "    " and resid 29   and name HD21))
   (( segid "    " and resid 19   and name HA  ))
      6.000     6.000     0.000 peak   861 spectrum    1 weight  0.11000E+01 volume  0.16105E-04 ppm1      7.377 ppm2      4.413 CV     1
 ASSI {  863}
   (( segid "    " and resid 29   and name HD21))
   (( segid "    " and resid 19   and name HB1 ))
      5.000     3.200     1.000 peak   863 spectrum    1 weight  0.11000E+01 volume  0.27888E-04 ppm1      7.392 ppm2      2.772 CV     1
 ASSI {  864}
   (( segid "    " and resid 29   and name HD21))
   (( segid "    " and resid 18   and name HB2 ))
      5.700     4.100     0.300 peak   864 spectrum    1 weight  0.11000E+01 volume  0.13073E-04 ppm1      7.400 ppm2      1.907 CV     1
 ASSI {  865}
   (( segid "    " and resid 29   and name HD21))
   (( segid "    " and resid 18   and name HB1 ))
      6.000     6.000     0.000 peak   865 spectrum    1 weight  0.11000E+01 volume  0.68631E-05 ppm1      7.390 ppm2      1.526 CV     1
 ASSI {  866}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 47   and name HD2%)
      4.600     4.600     1.400 peak   866 spectrum    1 weight  0.11000E+01 volume  0.46815E-04 ppm1      7.807 ppm2      0.269 CV     1
 ASSI {  867}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.600     1.600     1.600 peak   867 spectrum    1 weight  0.11000E+01 volume  0.18960E-02 ppm1      8.480 ppm2      8.678 CV     1
 ASSI {  870}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 18   and name HN  ))
      6.000     6.000     0.000 peak   870 spectrum    1 weight  0.11000E+01 volume  0.49164E-04 ppm1      7.296 ppm2      8.792 CV     1
 ASSI {  871}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 18   and name HN  ))
      6.000     6.000     0.000 peak   871 spectrum    1 weight  0.11000E+01 volume  0.35082E-04 ppm1      6.831 ppm2      8.788 CV     1
 ASSI {  872}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 14   and name HN  ))
      6.000     6.000     0.000 peak   872 spectrum    1 weight  0.11000E+01 volume  0.52181E-05 ppm1      7.293 ppm2      9.302 CV     1
 ASSI {  877}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 40   and name HB  ))
      6.000     5.500     0.000 peak   877 spectrum    1 weight  0.11000E+01 volume  0.26807E-04 ppm1      7.293 ppm2      1.715 CV     1
 ASSI {  879}
   (( segid "    " and resid 14   and name HE21))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.900     0.000 peak   879 spectrum    1 weight  0.11000E+01 volume  0.45277E-04 ppm1      7.988 ppm2      9.334 CV     1
 ASSI {  880}
   (( segid "    " and resid 14   and name HE21))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.800     0.000 peak   880 spectrum    1 weight  0.11000E+01 volume  0.37058E-04 ppm1      7.984 ppm2      8.923 CV     1
 ASSI {  881}
   (( segid "    " and resid 14   and name HE21))
   (( segid "    " and resid 11   and name HA  ))
      6.000     6.000     0.000 peak   881 spectrum    1 weight  0.11000E+01 volume  0.24243E-04 ppm1      7.992 ppm2      5.390 CV     1
 ASSI {  883}
   (( segid "    " and resid 14   and name HE22))
   (( segid "    " and resid 14   and name HA  ))
      4.600     2.700     1.400 peak   883 spectrum    1 weight  0.11000E+01 volume  0.64423E-03 ppm1      7.390 ppm2      4.007 CV     1
 ASSI {  884}
   (( segid "    " and resid 14   and name HE21))
   (( segid "    " and resid 14   and name HA  ))
      5.500     3.800     0.500 peak   884 spectrum    1 weight  0.11000E+01 volume  0.18679E-03 ppm1      7.985 ppm2      4.008 CV     1
 ASSI {  885}
   (( segid "    " and resid 14   and name HE22))
   (( segid "    " and resid 39   and name HA  ))
      6.000     6.000     0.000 peak   885 spectrum    1 weight  0.11000E+01 volume  0.34057E-04 ppm1      7.391 ppm2      4.553 CV     1
 ASSI {  889}
   (( segid "    " and resid 14   and name HE22))
   (( segid "    " and resid 14   and name HB2 ))
      4.900     3.000     1.100 peak   889 spectrum    1 weight  0.11000E+01 volume  0.17788E-03 ppm1      7.395 ppm2      2.097 CV     1
 ASSI {  890}
   (( segid "    " and resid 14   and name HE22))
   (( segid "    " and resid 14   and name HB1 ))
      5.900     4.300     0.100 peak   890 spectrum    1 weight  0.11000E+01 volume  0.19602E-03 ppm1      7.391 ppm2      1.654 CV     1
 ASSI {  891}
   (( segid "    " and resid 14   and name HE22))
   (  segid "    " and resid 40   and name HG2%)
      6.000     6.000     0.000 peak   891 spectrum    1 weight  0.11000E+01 volume  0.13786E-03 ppm1      7.392 ppm2      0.851 CV     1
 ASSI {  892}
   (( segid "    " and resid 14   and name HE22))
   (  segid "    " and resid 33   and name HD2%)
      6.000     5.100     0.000 peak   892 spectrum    1 weight  0.11000E+01 volume  0.64036E-04 ppm1      7.392 ppm2      0.543 CV     1
 ASSI {  893}
   (( segid "    " and resid 14   and name HE22))
   (  segid "    " and resid 33   and name HD1%)
      6.000     6.000     0.000 peak   893 spectrum    1 weight  0.11000E+01 volume  0.13656E-03 ppm1      7.396 ppm2      0.233 CV     1
 ASSI {  894}
   (( segid "    " and resid 14   and name HE21))
   (  segid "    " and resid 33   and name HD1%)
      5.900     4.400     0.100 peak   894 spectrum    1 weight  0.11000E+01 volume  0.13403E-03 ppm1      7.983 ppm2      0.234 CV     1
 ASSI {  895}
   (( segid "    " and resid 14   and name HE21))
   (  segid "    " and resid 33   and name HD2%)
      4.800     2.900     1.200 peak   895 spectrum    1 weight  0.11000E+01 volume  0.74502E-04 ppm1      7.976 ppm2      0.538 CV     1
 ASSI {  896}
   (( segid "    " and resid 14   and name HE21))
   (  segid "    " and resid 40   and name HG2%)
      6.000     6.000     0.000 peak   896 spectrum    1 weight  0.11000E+01 volume  0.11757E-03 ppm1      7.984 ppm2      0.855 CV     1
 ASSI {  897}
   (( segid "    " and resid 14   and name HE21))
   (( segid "    " and resid 14   and name HB1 ))
      4.700     2.800     1.300 peak   897 spectrum    1 weight  0.11000E+01 volume  0.24049E-03 ppm1      7.984 ppm2      1.670 CV     1
 ASSI {  898}
   (( segid "    " and resid 14   and name HE21))
   (( segid "    " and resid 14   and name HB2 ))
      4.200     2.200     1.800 peak   898 spectrum    1 weight  0.11000E+01 volume  0.15926E-03 ppm1      7.986 ppm2      2.098 CV     1
 ASSI {  899}
   (( segid "    " and resid 14   and name HE21))
   (( segid "    " and resid 40   and name HG12))
      6.000     6.000     0.000 peak   899 spectrum    1 weight  0.11000E+01 volume  0.66371E-05 ppm1      7.983 ppm2      1.363 CV     1
 ASSI {  901}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     6.000     0.000 peak   901 spectrum    1 weight  0.11000E+01 volume  0.12863E-04 ppm1      7.706 ppm2      8.660 CV     1
 ASSI {  904}
   (( segid "    " and resid 13   and name HE21))
   (( segid "    " and resid 14   and name HN  ))
      6.000     6.000     0.000 peak   904 spectrum    1 weight  0.11000E+01 volume  0.11766E-04 ppm1      7.661 ppm2      9.336 CV     1
 ASSI {  908}
   (( segid "    " and resid 13   and name HE22))
   (( segid "    " and resid 15   and name HN  ))
      6.000     6.000     0.000 peak   908 spectrum    1 weight  0.11000E+01 volume  0.28509E-04 ppm1      6.938 ppm2      8.814 CV     1
 ASSI {  909}
   (( segid "    " and resid 13   and name HE22))
   (( segid "    " and resid 13   and name HE21))
      1.600     0.300     0.600 peak   909 spectrum    1 weight  0.11000E+01 volume  0.25084E-01 ppm1      6.940 ppm2      7.674 CV     1
 ASSI {  911}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     6.000     0.000 peak   911 spectrum    1 weight  0.11000E+01 volume  0.39195E-04 ppm1      7.708 ppm2      2.847 CV     1
 ASSI {  912}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      5.600     3.900     0.400 peak   912 spectrum    1 weight  0.11000E+01 volume  0.22192E-03 ppm1      7.710 ppm2      2.635 CV     1
 ASSI {  913}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HA1 ))
      3.900     1.900     1.900 peak   913 spectrum    1 weight  0.11000E+01 volume  0.15956E-02 ppm1      7.713 ppm2      2.455 CV     1
 ASSI {  915}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      5.500     3.800     0.500 peak   915 spectrum    1 weight  0.11000E+01 volume  0.53286E-04 ppm1      7.706 ppm2      0.079 CV     1
 ASSI {  923}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      6.000     6.000     0.000 peak   923 spectrum    1 weight  0.11000E+01 volume  0.18847E-04 ppm1      8.113 ppm2      2.402 CV     1
 ASSI {  925}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   925 spectrum    1 weight  0.11000E+01 volume  0.20899E-02 ppm1      8.526 ppm2      4.716 CV     1
 ASSI {  926}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      2.700     2.700     3.300 peak   926 spectrum    1 weight  0.11000E+01 volume  0.11550E-02 ppm1      8.388 ppm2      1.013 CV     1
 ASSI {  927}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     6.000     0.000 peak   927 spectrum    1 weight  0.11000E+01 volume  0.16573E-04 ppm1      8.156 ppm2      9.273 CV     1
 ASSI {  928}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     2.800     3.200 peak   928 spectrum    1 weight  0.11000E+01 volume  0.92142E-03 ppm1      8.141 ppm2      8.522 CV     1
 ASSI {  932}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 18   and name HD2%)
      6.000     6.000     0.000 peak   932 spectrum    1 weight  0.11000E+01 volume  0.81292E-05 ppm1      7.967 ppm2      0.532 CV     1
 ASSI {  934}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      3.300     1.400     1.400 peak   934 spectrum    1 weight  0.11000E+01 volume  0.16292E-02 ppm1      6.879 ppm2      1.394 CV     1
 ASSI {  937}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 9    and name HG1%)
      6.000     6.000     0.000 peak   937 spectrum    1 weight  0.11000E+01 volume  0.16130E-07 ppm1      7.430 ppm2      0.939 CV     1
 ASSI {  938}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     4.900     0.000 peak   938 spectrum    1 weight  0.11000E+01 volume  0.22880E-04 ppm1      7.420 ppm2      5.421 CV     1
 ASSI {  941}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak   941 spectrum    1 weight  0.11000E+01 volume  0.33619E-02 ppm1      8.662 ppm2      7.740 CV     1
 ASSI {  943}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 11   and name HD% )
      4.300     2.300     1.700 peak   943 spectrum    1 weight  0.11000E+01 volume  0.50016E-03 ppm1      8.658 ppm2      7.046 CV     1
 ASSI {  946}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.100     3.100     2.900 peak   946 spectrum    1 weight  0.11000E+01 volume  0.33274E-02 ppm1      8.781 ppm2      0.539 CV     1
 ASSI {  947}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      5.700     4.000     0.300 peak   947 spectrum    1 weight  0.11000E+01 volume  0.92633E-04 ppm1      8.778 ppm2      0.246 CV     1
 ASSI {  948}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     6.000     0.000 peak   948 spectrum    1 weight  0.11000E+01 volume  0.76779E-05 ppm1      8.417 ppm2      8.012 CV     1
 ASSI {  949}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      5.900     4.300     0.100 peak   949 spectrum    1 weight  0.11000E+01 volume  0.10791E-04 ppm1      8.277 ppm2      8.927 CV     1
 ASSI {  950}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 47   and name HD1%)
      4.400     2.500     1.600 peak   950 spectrum    1 weight  0.11000E+01 volume  0.80233E-03 ppm1      8.421 ppm2      0.773 CV     1
 ASSI {  951}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     6.000     0.000 peak   951 spectrum    1 weight  0.11000E+01 volume  0.11807E-04 ppm1      8.282 ppm2      2.695 CV     1
 ASSI {  952}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     6.000     0.000 peak   952 spectrum    1 weight  0.11000E+01 volume  0.86131E-05 ppm1      7.676 ppm2      1.923 CV     1
 ASSI {  953}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     4.500     0.000 peak   953 spectrum    1 weight  0.11000E+01 volume  0.33936E-04 ppm1      8.775 ppm2      5.402 CV     1
 ASSI {  954}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     6.000     0.000 peak   954 spectrum    1 weight  0.11000E+01 volume  0.51640E-04 ppm1      7.954 ppm2      0.267 CV     1
 ASSI {  956}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.400     2.400     1.600 peak   956 spectrum    1 weight  0.11000E+01 volume  0.63729E-04 ppm1      7.497 ppm2      8.101 CV     1
 ASSI {  957}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.500     1.500     1.500 peak   957 spectrum    1 weight  0.11000E+01 volume  0.11869E-02 ppm1      7.490 ppm2      4.177 CV     1
 ASSI {  958}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     6.000     0.000 peak   958 spectrum    1 weight  0.11000E+01 volume  0.40162E-05 ppm1      8.093 ppm2      2.961 CV     1
 ASSI {  961}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      6.000     6.000     0.000 peak   961 spectrum    1 weight  0.11000E+01 volume  0.56532E-05 ppm1      7.784 ppm2      0.530 CV     1
 ASSI {  962}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 47   and name HD2%)
      6.000     6.000     0.000 peak   962 spectrum    1 weight  0.11000E+01 volume  0.37316E-04 ppm1      7.790 ppm2      0.262 CV     1
 ASSI {  963}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     1.400     1.400 peak   963 spectrum    1 weight  0.11000E+01 volume  0.31415E-02 ppm1      8.021 ppm2      8.331 CV     1
 ASSI {  964}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak   964 spectrum    1 weight  0.11000E+01 volume  0.13229E-01 ppm1      8.021 ppm2      7.796 CV     1
 ASSI {  965}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.400     3.400     2.600 peak   965 spectrum    1 weight  0.11000E+01 volume  0.29667E-03 ppm1      8.024 ppm2      7.508 CV     1
 ASSI {  970}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.800     0.000 peak   970 spectrum    1 weight  0.11000E+01 volume  0.32759E-04 ppm1      7.951 ppm2      8.356 CV     1
 ASSI {  973}
   (( segid "    " and resid 25   and name HD21))
   (  segid "    " and resid 28   and name HB% )
      4.100     2.100     1.900 peak   973 spectrum    1 weight  0.11000E+01 volume  0.38970E-03 ppm1      7.797 ppm2      1.317 CV     1
 ASSI {  978}
   (( segid "    " and resid 25   and name HD21))
   (( segid "    " and resid 28   and name HA  ))
      6.000     6.000     0.000 peak   978 spectrum    1 weight  0.11000E+01 volume  0.87907E-06 ppm1      7.794 ppm2      4.013 CV     1
 ASSI {  979}
   (( segid "    " and resid 25   and name HD22))
   (( segid "    " and resid 28   and name HA  ))
      6.000     6.000     0.000 peak   979 spectrum    1 weight  0.11000E+01 volume  0.72986E-05 ppm1      7.078 ppm2      4.011 CV     1
 ASSI {  982}
   (( segid "    " and resid 25   and name HD21))
   (( segid "    " and resid 26   and name HN  ))
      4.900     3.000     1.100 peak   982 spectrum    1 weight  0.11000E+01 volume  0.14325E-03 ppm1      7.797 ppm2      8.384 CV     1
 ASSI {  983}
   (( segid "    " and resid 25   and name HD21))
   (( segid "    " and resid 25   and name HN  ))
      5.400     3.600     0.600 peak   983 spectrum    1 weight  0.11000E+01 volume  0.12448E-03 ppm1      7.799 ppm2      9.104 CV     1
 ASSI {  986}
   (( segid "    " and resid 25   and name HD21))
   (( segid "    " and resid 29   and name HN  ))
      6.000     5.400     0.000 peak   986 spectrum    1 weight  0.11000E+01 volume  0.30380E-04 ppm1      7.800 ppm2      8.643 CV     1
 ASSI {  988}
   (( segid "    " and resid 25   and name HD22))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     6.000     0.000 peak   988 spectrum    1 weight  0.11000E+01 volume  0.80341E-04 ppm1      7.078 ppm2      2.043 CV     1
 ASSI {  992}
   (( segid "    " and resid 51   and name HE22))
   (( segid "    " and resid 49   and name HA2 ))
      3.200     3.200     2.800 peak   992 spectrum    1 weight  0.11000E+01 volume  0.44945E-03 ppm1      6.919 ppm2      4.003 CV     1
 ASSI {  993}
   (( segid "    " and resid 51   and name HE22))
   (( segid "    " and resid 51   and name HA  ))
      3.900     1.900     1.900 peak   993 spectrum    1 weight  0.11000E+01 volume  0.13112E-03 ppm1      6.914 ppm2      4.349 CV     1
 ASSI { 1003}
   (( segid "    " and resid 51   and name HE21))
   (( segid "    " and resid 51   and name HB2 ))
      4.300     2.300     1.700 peak  1003 spectrum    1 weight  0.11000E+01 volume  0.28309E-03 ppm1      7.622 ppm2      2.155 CV     1
 ASSI { 1004}
   (( segid "    " and resid 51   and name HE21))
   (( segid "    " and resid 51   and name HG2 ))
      3.200     1.200     1.200 peak  1004 spectrum    1 weight  0.11000E+01 volume  0.13850E-02 ppm1      7.621 ppm2      2.394 CV     1
 ASSI { 1006}
   (( segid "    " and resid 51   and name HE21))
   (( segid "    " and resid 51   and name HA  ))
      4.600     2.600     1.400 peak  1006 spectrum    1 weight  0.11000E+01 volume  0.36352E-03 ppm1      7.620 ppm2      4.350 CV     1
 ASSI { 1009}
   (( segid "    " and resid 51   and name HE22))
   (( segid "    " and resid 51   and name HG2 ))
      4.300     2.300     1.700 peak  1009 spectrum    1 weight  0.11000E+01 volume  0.78655E-03 ppm1      6.914 ppm2      2.398 CV     1
 ASSI { 1010}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     6.000     0.000 peak  1010 spectrum    1 weight  0.11000E+01 volume  0.10839E-04 ppm1      8.907 ppm2      5.454 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  24.674  -2.795  -2.595
    2    H2   GLY   1           HT2      GLY   1  24.391  -2.410  -4.226
    3    H3   GLY   1           HT3      GLY   1  25.276  -3.798  -3.824
    4    HA2  GLY   1           HA1      GLY   1  22.995  -4.305  -4.515
    5    HA3  GLY   1           HA2      GLY   1  23.371  -4.848  -2.885
    6    HA   PRO   2           HA       PRO   2  20.150  -1.089  -3.014
    7    HB2  PRO   2           HB2      PRO   2  18.358  -2.596  -4.839
    8    HB3  PRO   2           HB1      PRO   2  18.703  -0.865  -4.777
    9    HG2  PRO   2           HG2      PRO   2  19.687  -2.399  -6.732
   10    HG3  PRO   2           HG1      PRO   2  20.631  -1.067  -6.036
   11    HD2  PRO   2           HD2      PRO   2  20.864  -4.012  -5.558
   12    HD3  PRO   2           HD1      PRO   2  22.138  -2.785  -5.704
   13    H    LEU   3           HN       LEU   3  19.081  -1.350  -1.177
   14    HA   LEU   3           HA       LEU   3  18.476  -4.023  -0.270
   15    HB2  LEU   3           HB2      LEU   3  18.290  -1.360   1.123
   16    HB3  LEU   3           HB1      LEU   3  17.987  -2.906   1.888
   17    HG   LEU   3           HG       LEU   3  20.623  -1.992   0.736
   18   HD11  LEU   3          HD11      LEU   3  19.716  -2.393   3.579
   19   HD12  LEU   3          HD12      LEU   3  20.028  -0.846   2.791
   20   HD13  LEU   3          HD13      LEU   3  21.352  -1.978   3.066
   21   HD21  LEU   3          HD21      LEU   3  20.343  -4.401   0.486
   22   HD22  LEU   3          HD22      LEU   3  19.905  -4.536   2.191
   23   HD23  LEU   3          HD23      LEU   3  21.534  -4.032   1.736
   24    H    GLY   4           HN       GLY   4  16.606  -4.869  -0.936
   25    HA2  GLY   4           HA2      GLY   4  14.168  -3.327  -1.091
   26    HA3  GLY   4           HA1      GLY   4  14.323  -5.073  -1.254
   27    H    SER   5           HN       SER   5  15.955  -4.574   1.442
   28    HA   SER   5           HA       SER   5  13.670  -5.031   3.161
   29    HB2  SER   5           HB2      SER   5  16.583  -4.832   3.940
   30    HB3  SER   5           HB1      SER   5  15.275  -5.594   4.850
   31    HG   SER   5           HG       SER   5  15.211  -7.239   3.402
   32    H    MET   6           HN       MET   6  13.549  -2.648   1.997
   33    HA   MET   6           HA       MET   6  13.512  -0.864   4.299
   34    HB2  MET   6           HB2      MET   6  14.566  -0.008   1.580
   35    HB3  MET   6           HB1      MET   6  14.310   1.045   2.961
   36    HG2  MET   6           HG2      MET   6  16.034  -0.248   4.190
   37    HG3  MET   6           HG1      MET   6  16.341  -1.160   2.713
   38    HE1  MET   6           HE1      MET   6  17.062   0.163   0.364
   39    HE2  MET   6           HE2      MET   6  17.398   1.893   0.338
   40    HE3  MET   6           HE3      MET   6  15.759   1.320   0.654
   41    HA   PRO   7           HA       PRO   7   9.915  -2.067   1.634
   42    HB2  PRO   7           HB2      PRO   7   8.538  -1.498   4.226
   43    HB3  PRO   7           HB1      PRO   7   8.287  -2.826   3.080
   44    HG2  PRO   7           HG2      PRO   7   9.675  -3.336   5.241
   45    HG3  PRO   7           HG1      PRO   7  10.329  -3.871   3.672
   46    HD2  PRO   7           HD2      PRO   7  11.062  -1.437   5.276
   47    HD3  PRO   7           HD1      PRO   7  12.127  -2.649   4.523
   48    H    GLU   8           HN       GLU   8  10.025   0.831   3.712
   49    HA   GLU   8           HA       GLU   8   7.740   1.997   2.475
   50    HB2  GLU   8           HB2      GLU   8   9.843   3.066   4.310
   51    HB3  GLU   8           HB1      GLU   8   8.779   4.185   3.466
   52    HG2  GLU   8           HG2      GLU   8   6.839   2.890   4.394
   53    HG3  GLU   8           HG1      GLU   8   8.000   2.013   5.395
   54    H    VAL   9           HN       VAL   9  10.997   1.725   1.441
   55    HA   VAL   9           HA       VAL   9  11.058   3.968  -0.283
   56    HB   VAL   9           HB       VAL   9  12.471   1.311  -0.606
   57   HG11  VAL   9          HG11      VAL   9  12.378   2.575  -2.702
   58   HG12  VAL   9          HG12      VAL   9  14.021   2.513  -2.064
   59   HG13  VAL   9          HG13      VAL   9  13.060   3.983  -1.888
   60   HG21  VAL   9          HG21      VAL   9  14.396   2.457   0.389
   61   HG22  VAL   9          HG22      VAL   9  13.026   2.416   1.500
   62   HG23  VAL   9          HG23      VAL   9  13.412   3.900   0.629
   63    H    ARG  10           HN       ARG  10   9.520   0.853  -0.474
   64    HA   ARG  10           HA       ARG  10   8.506   1.511  -3.149
   65    HB2  ARG  10           HB2      ARG  10   8.078  -1.015  -1.522
   66    HB3  ARG  10           HB1      ARG  10   7.633  -0.760  -3.205
   67    HG2  ARG  10           HG2      ARG  10  10.439  -0.790  -2.118
   68    HG3  ARG  10           HG1      ARG  10   9.652  -2.108  -2.984
   69    HD2  ARG  10           HD2      ARG  10   9.344  -0.506  -4.911
   70    HD3  ARG  10           HD1      ARG  10  10.387   0.617  -4.038
   71    HE   ARG  10           HE       ARG  10  11.314  -2.079  -4.788
   72   HH11  ARG  10          HH11      ARG  10  11.714   1.394  -4.748
   73   HH12  ARG  10          HH12      ARG  10  13.265   1.366  -5.527
   74   HH21  ARG  10          HH21      ARG  10  13.357  -2.136  -5.809
   75   HH22  ARG  10          HH22      ARG  10  14.204  -0.651  -6.136
   76    H    PHE  11           HN       PHE  11   7.494   0.703   0.126
   77    HA   PHE  11           HA       PHE  11   4.731   0.757  -0.334
   78    HB2  PHE  11           HB2      PHE  11   6.357   1.091   2.183
   79    HB3  PHE  11           HB1      PHE  11   4.595   1.073   2.179
   80    HD1  PHE  11           HD2      PHE  11   6.045  -1.078  -0.289
   81    HD2  PHE  11           HD1      PHE  11   4.944  -0.823   3.813
   82    HE1  PHE  11           HE2      PHE  11   6.041  -3.533  -0.141
   83    HE2  PHE  11           HE1      PHE  11   4.941  -3.275   3.965
   84    HZ   PHE  11           HZ       PHE  11   5.485  -4.634   1.990
   85    H    GLN  12           HN       GLN  12   6.860   3.278   1.050
   86    HA   GLN  12           HA       GLN  12   4.728   4.969   1.743
   87    HB2  GLN  12           HB2      GLN  12   7.106   5.007   2.649
   88    HB3  GLN  12           HB1      GLN  12   7.545   5.876   1.186
   89    HG2  GLN  12           HG2      GLN  12   5.911   7.629   1.779
   90    HG3  GLN  12           HG1      GLN  12   5.587   6.774   3.285
   91   HE21  GLN  12          HE21      GLN  12   7.244   6.645   4.860
   92   HE22  GLN  12          HE22      GLN  12   8.537   7.802   4.879
   93    H    GLN  13           HN       GLN  13   6.571   4.598  -1.214
   94    HA   GLN  13           HA       GLN  13   5.704   7.076  -2.345
   95    HB2  GLN  13           HB2      GLN  13   6.546   4.735  -4.019
   96    HB3  GLN  13           HB1      GLN  13   6.786   6.446  -4.318
   97    HG2  GLN  13           HG2      GLN  13   8.333   4.591  -2.569
   98    HG3  GLN  13           HG1      GLN  13   8.912   5.703  -3.803
   99   HE21  GLN  13          HE21      GLN  13   7.236   7.911  -2.636
  100   HE22  GLN  13          HE22      GLN  13   8.059   8.376  -1.195
  101    H    GLN  14           HN       GLN  14   4.763   3.683  -2.731
  102    HA   GLN  14           HA       GLN  14   2.443   4.117  -4.265
  103    HB2  GLN  14           HB2      GLN  14   3.429   1.963  -2.470
  104    HB3  GLN  14           HB1      GLN  14   1.713   1.977  -2.830
  105    HG2  GLN  14           HG2      GLN  14   2.666   0.514  -4.369
  106    HG3  GLN  14           HG1      GLN  14   2.353   1.992  -5.270
  107   HE21  GLN  14          HE21      GLN  14   4.215  -0.295  -5.607
  108   HE22  GLN  14          HE22      GLN  14   5.770   0.425  -5.785
  109    H    LEU  15           HN       LEU  15   3.171   4.662  -0.923
  110    HA   LEU  15           HA       LEU  15   0.460   4.710  -0.010
  111    HB2  LEU  15           HB2      LEU  15   2.898   5.965   1.261
  112    HB3  LEU  15           HB1      LEU  15   1.329   5.789   2.020
  113    HG   LEU  15           HG       LEU  15   3.368   3.684   1.406
  114   HD11  LEU  15          HD11      LEU  15   2.853   3.031   3.735
  115   HD12  LEU  15          HD12      LEU  15   1.756   4.408   3.843
  116   HD13  LEU  15          HD13      LEU  15   3.482   4.672   3.589
  117   HD21  LEU  15          HD21      LEU  15   1.746   1.953   1.869
  118   HD22  LEU  15          HD22      LEU  15   1.259   2.892   0.454
  119   HD23  LEU  15          HD23      LEU  15   0.477   3.162   2.008
  120    H    GLU  16           HN       GLU  16   2.731   7.128  -1.211
  121    HA   GLU  16           HA       GLU  16   1.027   9.388  -0.880
  122    HB2  GLU  16           HB2      GLU  16   2.999   8.981  -3.123
  123    HB3  GLU  16           HB1      GLU  16   2.432  10.504  -2.471
  124    HG2  GLU  16           HG2      GLU  16   3.589  10.006  -0.364
  125    HG3  GLU  16           HG1      GLU  16   4.195   8.512  -1.085
  126    H    GLN  17           HN       GLN  17   1.363   6.917  -3.312
  127    HA   GLN  17           HA       GLN  17  -0.324   8.070  -5.262
  128    HB2  GLN  17           HB2      GLN  17   1.254   6.293  -5.771
  129    HB3  GLN  17           HB1      GLN  17   0.387   5.215  -4.683
  130    HG2  GLN  17           HG2      GLN  17  -1.445   5.048  -6.134
  131    HG3  GLN  17           HG1      GLN  17  -0.933   6.446  -7.079
  132   HE21  GLN  17          HE21      GLN  17   1.337   3.998  -6.062
  133   HE22  GLN  17          HE22      GLN  17   1.580   3.305  -7.625
  134    H    LEU  18           HN       LEU  18  -0.954   5.642  -2.700
  135    HA   LEU  18           HA       LEU  18  -3.764   5.507  -3.115
  136    HB2  LEU  18           HB2      LEU  18  -2.012   4.950  -0.739
  137    HB3  LEU  18           HB1      LEU  18  -3.735   4.760  -0.675
  138    HG   LEU  18           HG       LEU  18  -1.890   3.222  -2.480
  139   HD11  LEU  18          HD11      LEU  18  -1.593   2.644  -0.166
  140   HD12  LEU  18          HD12      LEU  18  -2.541   1.375  -0.949
  141   HD13  LEU  18          HD13      LEU  18  -3.339   2.574   0.073
  142   HD21  LEU  18          HD21      LEU  18  -3.826   1.904  -3.022
  143   HD22  LEU  18          HD22      LEU  18  -4.207   3.598  -3.350
  144   HD23  LEU  18          HD23      LEU  18  -4.817   2.822  -1.886
  145    H    ASN  19           HN       ASN  19  -1.614   7.494  -1.301
  146    HA   ASN  19           HA       ASN  19  -3.312   8.988   0.304
  147    HB2  ASN  19           HB2      ASN  19  -0.752   8.984   0.116
  148    HB3  ASN  19           HB1      ASN  19  -0.957  10.096  -1.221
  149   HD21  ASN  19          HD21      ASN  19  -1.583  12.197  -0.830
  150   HD22  ASN  19          HD22      ASN  19  -1.592  12.890   0.762
  151    H    SER  20           HN       SER  20  -2.755   9.046  -3.047
  152    HA   SER  20           HA       SER  20  -4.006  11.594  -3.604
  153    HB2  SER  20           HB2      SER  20  -3.085   9.315  -5.381
  154    HB3  SER  20           HB1      SER  20  -3.697  10.845  -5.984
  155    HG   SER  20           HG       SER  20  -1.452  10.550  -4.262
  156    H    MET  21           HN       MET  21  -4.930   8.428  -3.063
  157    HA   MET  21           HA       MET  21  -7.330   8.516  -4.725
  158    HB2  MET  21           HB2      MET  21  -6.063   6.260  -3.169
  159    HB3  MET  21           HB1      MET  21  -7.336   6.103  -4.371
  160    HG2  MET  21           HG2      MET  21  -4.982   7.524  -5.326
  161    HG3  MET  21           HG1      MET  21  -4.646   5.877  -4.839
  162    HE1  MET  21           HE1      MET  21  -7.562   4.580  -5.493
  163    HE2  MET  21           HE2      MET  21  -6.054   3.751  -5.893
  164    HE3  MET  21           HE3      MET  21  -7.298   3.961  -7.125
  165    H    GLY  22           HN       GLY  22  -6.481   9.464  -1.768
  166    HA2  GLY  22           HA2      GLY  22  -7.947  10.273  -0.145
  167    HA3  GLY  22           HA1      GLY  22  -9.211   9.222  -0.778
  168    H    PHE  23           HN       PHE  23  -6.173   7.773  -0.389
  169    HA   PHE  23           HA       PHE  23  -7.090   6.474   2.079
  170    HB2  PHE  23           HB2      PHE  23  -5.315   5.548  -0.162
  171    HB3  PHE  23           HB1      PHE  23  -5.382   4.694   1.373
  172    HD1  PHE  23           HD1      PHE  23  -7.846   4.125   2.161
  173    HD2  PHE  23           HD2      PHE  23  -6.682   4.870  -1.860
  174    HE1  PHE  23           HE1      PHE  23  -9.831   2.903   1.369
  175    HE2  PHE  23           HE2      PHE  23  -8.663   3.650  -2.667
  176    HZ   PHE  23           HZ       PHE  23 -10.239   2.667  -1.049
  177    H    ILE  24           HN       ILE  24  -6.244   7.493   3.727
  178    HA   ILE  24           HA       ILE  24  -3.407   8.257   3.652
  179    HB   ILE  24           HB       ILE  24  -4.234   9.983   5.493
  180   HG12  ILE  24          HG12      ILE  24  -6.650   9.144   5.078
  181   HG13  ILE  24          HG11      ILE  24  -6.379  10.880   5.203
  182   HG21  ILE  24          HG21      ILE  24  -2.958  10.551   3.530
  183   HG22  ILE  24          HG22      ILE  24  -4.271  11.709   3.760
  184   HG23  ILE  24          HG23      ILE  24  -4.408  10.454   2.530
  185   HD11  ILE  24          HD11      ILE  24  -6.590   9.356   2.613
  186   HD12  ILE  24          HD12      ILE  24  -6.490  11.108   2.806
  187   HD13  ILE  24          HD13      ILE  24  -7.916  10.235   3.375
  188    H    ASN  25           HN       ASN  25  -5.440   6.123   4.932
  189    HA   ASN  25           HA       ASN  25  -4.397   6.068   7.611
  190    HB2  ASN  25           HB2      ASN  25  -6.632   4.959   6.697
  191    HB3  ASN  25           HB1      ASN  25  -5.560   3.649   6.245
  192   HD21  ASN  25          HD21      ASN  25  -3.826   4.200   8.604
  193   HD22  ASN  25          HD22      ASN  25  -4.674   3.544   9.957
  194    H    ARG  26           HN       ARG  26  -2.194   6.270   7.059
  195    HA   ARG  26           HA       ARG  26  -0.675   4.914   5.281
  196    HB2  ARG  26           HB2      ARG  26  -0.140   5.731   8.096
  197    HB3  ARG  26           HB1      ARG  26   1.111   4.940   7.141
  198    HG2  ARG  26           HG2      ARG  26  -0.256   7.542   6.519
  199    HG3  ARG  26           HG1      ARG  26   1.395   7.332   7.101
  200    HD2  ARG  26           HD2      ARG  26   1.814   7.517   4.879
  201    HD3  ARG  26           HD1      ARG  26   1.568   5.783   4.963
  202    HE   ARG  26           HE       ARG  26  -0.451   6.031   3.856
  203   HH11  ARG  26          HH11      ARG  26   0.978   9.151   4.599
  204   HH12  ARG  26          HH12      ARG  26  -0.060  10.025   3.507
  205   HH21  ARG  26          HH21      ARG  26  -1.820   7.209   2.411
  206   HH22  ARG  26          HH22      ARG  26  -1.635   8.928   2.279
  207    H    GLU  27           HN       GLU  27  -1.445   3.792   8.535
  208    HA   GLU  27           HA       GLU  27  -0.367   1.300   8.620
  209    HB2  GLU  27           HB2      GLU  27  -3.192   1.941   9.472
  210    HB3  GLU  27           HB1      GLU  27  -2.172   0.658  10.105
  211    HG2  GLU  27           HG2      GLU  27  -0.737   2.203  11.173
  212    HG3  GLU  27           HG1      GLU  27  -1.464   3.565  10.318
  213    H    ALA  28           HN       ALA  28  -3.619   1.996   7.303
  214    HA   ALA  28           HA       ALA  28  -4.092  -0.626   6.410
  215    HB1  ALA  28           HB1      ALA  28  -5.337   1.941   5.453
  216    HB2  ALA  28           HB2      ALA  28  -5.895   0.964   6.809
  217    HB3  ALA  28           HB3      ALA  28  -5.964   0.320   5.168
  218    H    ASN  29           HN       ASN  29  -3.112   2.304   4.658
  219    HA   ASN  29           HA       ASN  29  -2.858   1.385   2.108
  220    HB2  ASN  29           HB2      ASN  29  -1.009   3.281   3.570
  221    HB3  ASN  29           HB1      ASN  29  -1.025   3.069   1.834
  222   HD21  ASN  29          HD21      ASN  29  -1.490   5.286   1.594
  223   HD22  ASN  29          HD22      ASN  29  -3.103   5.884   1.820
  224    H    LEU  30           HN       LEU  30  -0.123   1.391   4.458
  225    HA   LEU  30           HA       LEU  30   1.427  -0.107   2.562
  226    HB2  LEU  30           HB2      LEU  30   3.138  -0.207   4.466
  227    HB3  LEU  30           HB1      LEU  30   2.785   1.341   3.733
  228    HG   LEU  30           HG       LEU  30   1.279   1.819   5.694
  229   HD11  LEU  30          HD11      LEU  30   0.934  -0.475   6.473
  230   HD12  LEU  30          HD12      LEU  30   1.618   0.542   7.739
  231   HD13  LEU  30          HD13      LEU  30   2.646  -0.597   6.876
  232   HD21  LEU  30          HD21      LEU  30   3.556   2.711   5.463
  233   HD22  LEU  30          HD22      LEU  30   4.178   1.306   6.330
  234   HD23  LEU  30          HD23      LEU  30   3.104   2.445   7.147
  235    H    GLN  31           HN       GLN  31  -0.569  -1.009   5.297
  236    HA   GLN  31           HA       GLN  31   0.472  -3.631   5.632
  237    HB2  GLN  31           HB2      GLN  31  -2.187  -2.370   6.164
  238    HB3  GLN  31           HB1      GLN  31  -2.002  -4.099   6.339
  239    HG2  GLN  31           HG2      GLN  31  -0.371  -2.018   7.769
  240    HG3  GLN  31           HG1      GLN  31  -1.747  -2.872   8.463
  241   HE21  GLN  31          HE21      GLN  31  -1.005  -5.440   7.239
  242   HE22  GLN  31          HE22      GLN  31   0.369  -6.014   8.114
  243    H    ALA  32           HN       ALA  32  -1.668  -2.130   3.391
  244    HA   ALA  32           HA       ALA  32  -2.619  -4.538   2.153
  245    HB1  ALA  32           HB1      ALA  32  -3.438  -3.052   0.380
  246    HB2  ALA  32           HB2      ALA  32  -2.545  -1.708   1.089
  247    HB3  ALA  32           HB3      ALA  32  -3.881  -2.439   1.973
  248    H    LEU  33           HN       LEU  33  -0.043  -2.229   1.695
  249    HA   LEU  33           HA       LEU  33   1.022  -3.467  -0.637
  250    HB2  LEU  33           HB2      LEU  33   1.877  -1.328   1.220
  251    HB3  LEU  33           HB1      LEU  33   3.120  -2.102   0.265
  252    HG   LEU  33           HG       LEU  33   1.283  -1.558  -1.643
  253   HD11  LEU  33          HD11      LEU  33  -0.225  -0.324  -0.272
  254   HD12  LEU  33          HD12      LEU  33   0.628   0.812  -1.323
  255   HD13  LEU  33          HD13      LEU  33   1.091   0.656   0.369
  256   HD21  LEU  33          HD21      LEU  33   3.687  -1.127  -1.667
  257   HD22  LEU  33          HD22      LEU  33   3.427   0.288  -0.648
  258   HD23  LEU  33          HD23      LEU  33   2.758   0.240  -2.278
  259    H    ILE  34           HN       ILE  34   1.333  -4.075   2.776
  260    HA   ILE  34           HA       ILE  34   3.770  -5.519   2.659
  261    HB   ILE  34           HB       ILE  34   1.484  -5.900   4.610
  262   HG12  ILE  34          HG12      ILE  34   3.947  -4.167   4.673
  263   HG13  ILE  34          HG11      ILE  34   2.273  -3.677   4.853
  264   HG21  ILE  34          HG21      ILE  34   2.915  -7.854   4.546
  265   HG22  ILE  34          HG22      ILE  34   3.172  -6.971   6.050
  266   HG23  ILE  34          HG23      ILE  34   4.349  -6.847   4.741
  267   HD11  ILE  34          HD11      ILE  34   2.177  -4.840   7.008
  268   HD12  ILE  34          HD12      ILE  34   3.412  -3.582   6.973
  269   HD13  ILE  34          HD13      ILE  34   3.875  -5.278   6.831
  270    H    ALA  35           HN       ALA  35   0.371  -6.544   2.549
  271    HA   ALA  35           HA       ALA  35   1.100  -9.279   2.069
  272    HB1  ALA  35           HB1      ALA  35  -0.962  -8.701   3.246
  273    HB2  ALA  35           HB2      ALA  35  -1.267  -9.707   1.830
  274    HB3  ALA  35           HB3      ALA  35  -1.596  -7.978   1.768
  275    H    THR  36           HN       THR  36   0.820  -6.550   0.027
  276    HA   THR  36           HA       THR  36   0.512  -8.287  -2.322
  277    HB   THR  36           HB       THR  36   0.168  -6.203  -3.600
  278    HG1  THR  36           HG1      THR  36  -0.136  -4.714  -1.260
  279   HG21  THR  36          HG21      THR  36  -1.593  -6.454  -1.151
  280   HG22  THR  36          HG22      THR  36  -1.755  -7.384  -2.642
  281   HG23  THR  36          HG23      THR  36  -2.028  -5.644  -2.659
  282    H    GLY  37           HN       GLY  37   2.847  -6.451  -0.577
  283    HA2  GLY  37           HA2      GLY  37   5.123  -6.309  -0.808
  284    HA3  GLY  37           HA1      GLY  37   5.006  -7.516  -2.084
  285    H    GLY  38           HN       GLY  38   3.370  -4.377  -2.158
  286    HA2  GLY  38           HA2      GLY  38   4.319  -2.385  -3.112
  287    HA3  GLY  38           HA1      GLY  38   5.434  -3.398  -4.020
  288    H    ASP  39           HN       ASP  39   2.326  -4.648  -3.893
  289    HA   ASP  39           HA       ASP  39   1.897  -3.902  -6.690
  290    HB2  ASP  39           HB2      ASP  39   1.765  -6.347  -6.059
  291    HB3  ASP  39           HB1      ASP  39   0.365  -5.952  -5.068
  292    H    ILE  40           HN       ILE  40   1.229  -1.870  -6.392
  293    HA   ILE  40           HA       ILE  40  -0.395  -1.083  -4.232
  294    HB   ILE  40           HB       ILE  40   1.279   0.263  -5.570
  295   HG12  ILE  40          HG12      ILE  40  -0.610   0.845  -3.797
  296   HG13  ILE  40          HG11      ILE  40   0.454   2.037  -4.485
  297   HG21  ILE  40          HG21      ILE  40  -1.161   0.724  -7.295
  298   HG22  ILE  40          HG22      ILE  40   0.340  -0.054  -7.796
  299   HG23  ILE  40          HG23      ILE  40   0.336   1.654  -7.365
  300   HD11  ILE  40          HD11      ILE  40  -2.361   1.477  -5.350
  301   HD12  ILE  40          HD12      ILE  40  -1.277   2.639  -6.118
  302   HD13  ILE  40          HD13      ILE  40  -1.793   2.885  -4.451
  303    H    ASN  41           HN       ASN  41  -1.067  -2.270  -7.373
  304    HA   ASN  41           HA       ASN  41  -3.647  -1.228  -7.735
  305    HB2  ASN  41           HB2      ASN  41  -2.926  -3.985  -8.697
  306    HB3  ASN  41           HB1      ASN  41  -3.864  -2.736  -9.514
  307   HD21  ASN  41          HD21      ASN  41  -0.725  -4.002  -8.845
  308   HD22  ASN  41          HD22      ASN  41   0.141  -3.003  -9.972
  309    H    ALA  42           HN       ALA  42  -2.478  -4.336  -6.502
  310    HA   ALA  42           HA       ALA  42  -5.028  -5.216  -5.610
  311    HB1  ALA  42           HB1      ALA  42  -3.800  -6.996  -4.485
  312    HB2  ALA  42           HB2      ALA  42  -2.280  -6.149  -4.774
  313    HB3  ALA  42           HB3      ALA  42  -3.216  -6.775  -6.133
  314    H    ALA  43           HN       ALA  43  -2.346  -3.458  -4.079
  315    HA   ALA  43           HA       ALA  43  -3.206  -3.365  -1.465
  316    HB1  ALA  43           HB1      ALA  43  -2.127  -1.204  -1.285
  317    HB2  ALA  43           HB2      ALA  43  -2.126  -1.026  -3.042
  318    HB3  ALA  43           HB3      ALA  43  -1.153  -2.288  -2.281
  319    H    ILE  44           HN       ILE  44  -4.256  -1.198  -4.114
  320    HA   ILE  44           HA       ILE  44  -6.182   0.222  -2.621
  321    HB   ILE  44           HB       ILE  44  -6.595  -0.354  -5.549
  322   HG12  ILE  44          HG12      ILE  44  -4.802   1.828  -4.509
  323   HG13  ILE  44          HG11      ILE  44  -4.190   0.263  -5.026
  324   HG21  ILE  44          HG21      ILE  44  -8.299   0.907  -4.331
  325   HG22  ILE  44          HG22      ILE  44  -7.501   1.909  -5.540
  326   HG23  ILE  44          HG23      ILE  44  -7.080   2.084  -3.836
  327   HD11  ILE  44          HD11      ILE  44  -3.990   1.936  -6.784
  328   HD12  ILE  44          HD12      ILE  44  -5.736   2.185  -6.741
  329   HD13  ILE  44          HD13      ILE  44  -5.080   0.631  -7.253
  330    H    GLU  45           HN       GLU  45  -6.451  -2.667  -4.669
  331    HA   GLU  45           HA       GLU  45  -9.238  -2.957  -4.419
  332    HB2  GLU  45           HB2      GLU  45  -7.094  -4.975  -5.079
  333    HB3  GLU  45           HB1      GLU  45  -8.818  -5.307  -5.176
  334    HG2  GLU  45           HG2      GLU  45  -9.010  -3.403  -6.774
  335    HG3  GLU  45           HG1      GLU  45  -7.251  -3.310  -6.782
  336    H    ARG  46           HN       ARG  46  -6.652  -3.742  -2.268
  337    HA   ARG  46           HA       ARG  46  -8.244  -5.520  -0.651
  338    HB2  ARG  46           HB2      ARG  46  -5.585  -4.180  -0.238
  339    HB3  ARG  46           HB1      ARG  46  -6.372  -5.079   1.048
  340    HG2  ARG  46           HG2      ARG  46  -6.461  -7.023  -0.578
  341    HG3  ARG  46           HG1      ARG  46  -5.293  -6.099  -1.538
  342    HD2  ARG  46           HD2      ARG  46  -4.278  -7.702   0.080
  343    HD3  ARG  46           HD1      ARG  46  -3.747  -6.037   0.268
  344    HE   ARG  46           HE       ARG  46  -5.973  -6.889   1.925
  345   HH11  ARG  46          HH11      ARG  46  -2.519  -6.467   1.695
  346   HH12  ARG  46          HH12      ARG  46  -2.295  -6.266   3.400
  347   HH21  ARG  46          HH21      ARG  46  -5.694  -6.672   4.167
  348   HH22  ARG  46          HH22      ARG  46  -4.109  -6.400   4.823
  349    H    LEU  47           HN       LEU  47  -7.431  -2.114  -0.687
  350    HA   LEU  47           HA       LEU  47  -8.659  -1.519   1.823
  351    HB2  LEU  47           HB2      LEU  47  -8.093   0.284  -0.528
  352    HB3  LEU  47           HB1      LEU  47  -8.468   0.809   1.101
  353    HG   LEU  47           HG       LEU  47  -6.045  -0.849   0.428
  354   HD11  LEU  47          HD11      LEU  47  -4.784   1.239   0.573
  355   HD12  LEU  47          HD12      LEU  47  -6.299   2.137   0.699
  356   HD13  LEU  47          HD13      LEU  47  -5.925   1.239  -0.773
  357   HD21  LEU  47          HD21      LEU  47  -5.246  -0.068   2.583
  358   HD22  LEU  47          HD22      LEU  47  -6.785  -0.915   2.762
  359   HD23  LEU  47          HD23      LEU  47  -6.735   0.848   2.824
  360    H    LEU  48           HN       LEU  48  -9.705  -1.582  -1.521
  361    HA   LEU  48           HA       LEU  48 -12.319  -0.472  -0.973
  362    HB2  LEU  48           HB2      LEU  48 -11.544  -2.026  -3.427
  363    HB3  LEU  48           HB1      LEU  48 -12.755  -0.774  -3.273
  364    HG   LEU  48           HG       LEU  48  -9.804  -0.240  -3.019
  365   HD11  LEU  48          HD11      LEU  48  -9.901   0.534  -5.336
  366   HD12  LEU  48          HD12      LEU  48 -11.560  -0.056  -5.455
  367   HD13  LEU  48          HD13      LEU  48 -10.235  -1.194  -5.193
  368   HD21  LEU  48          HD21      LEU  48 -10.435   2.058  -3.480
  369   HD22  LEU  48          HD22      LEU  48 -11.275   1.458  -2.050
  370   HD23  LEU  48          HD23      LEU  48 -12.132   1.591  -3.587
  371    H    GLY  49           HN       GLY  49 -10.825  -3.594  -1.483
  372    HA2  GLY  49           HA2      GLY  49 -13.414  -4.941  -1.612
  373    HA3  GLY  49           HA1      GLY  49 -11.839  -5.682  -1.859
  374    H    SER  50           HN       SER  50 -10.550  -4.964   0.488
  375    HA   SER  50           HA       SER  50 -11.991  -6.744   2.313
  376    HB2  SER  50           HB2      SER  50  -9.156  -5.859   2.741
  377    HB3  SER  50           HB1      SER  50  -9.946  -7.344   3.241
  378    HG   SER  50           HG       SER  50 -10.122  -7.702   0.828
  379    H    GLN  51           HN       GLN  51 -13.429  -4.985   2.899
  380    HA   GLN  51           HA       GLN  51 -12.236  -3.400   5.050
  381    HB2  GLN  51           HB2      GLN  51 -14.241  -1.819   4.645
  382    HB3  GLN  51           HB1      GLN  51 -12.854  -1.712   3.576
  383    HG2  GLN  51           HG2      GLN  51 -14.033  -3.014   1.890
  384    HG3  GLN  51           HG1      GLN  51 -15.422  -3.163   2.971
  385   HE21  GLN  51          HE21      GLN  51 -13.510  -0.968   1.050
  386   HE22  GLN  51          HE22      GLN  51 -14.696   0.283   0.946
  387    H    LEU  52           HN       LEU  52 -12.618  -4.979   6.492
  388    HA   LEU  52           HA       LEU  52 -15.261  -6.174   6.612
  389    HB2  LEU  52           HB2      LEU  52 -12.570  -6.878   7.692
  390    HB3  LEU  52           HB1      LEU  52 -14.001  -7.550   8.447
  391    HG   LEU  52           HG       LEU  52 -13.099  -9.139   6.889
  392   HD11  LEU  52          HD11      LEU  52 -15.550  -8.989   7.095
  393   HD12  LEU  52          HD12      LEU  52 -15.028  -9.582   5.519
  394   HD13  LEU  52          HD13      LEU  52 -15.581  -7.917   5.694
  395   HD21  LEU  52          HD21      LEU  52 -13.342  -6.959   4.818
  396   HD22  LEU  52          HD22      LEU  52 -12.984  -8.652   4.470
  397   HD23  LEU  52          HD23      LEU  52 -11.854  -7.690   5.424
  398    H    SER  53           HN       SER  53 -16.482  -4.589   7.466
  399    HA   SER  53           HA       SER  53 -15.954  -3.919  10.280
  400    HB2  SER  53           HB2      SER  53 -17.451  -2.168   8.312
  401    HB3  SER  53           HB1      SER  53 -16.914  -1.743   9.938
  402    HG   SER  53           HG       SER  53 -15.277  -2.267   7.674
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   9.884 -11.915   6.129
    2    H2   GLY   1           HT2      GLY   1  11.103 -11.922   7.306
    3    H3   GLY   1           HT3      GLY   1  11.475 -11.523   5.707
    4    HA2  GLY   1           HA1      GLY   1   9.668  -9.949   7.448
    5    HA3  GLY   1           HA2      GLY   1  11.363  -9.570   7.181
    6    HA   PRO   2           HA       PRO   2   9.008  -7.257   3.905
    7    HB2  PRO   2           HB2      PRO   2  10.930  -5.153   4.625
    8    HB3  PRO   2           HB1      PRO   2   9.171  -5.064   4.511
    9    HG2  PRO   2           HG2      PRO   2  10.429  -4.975   6.877
   10    HG3  PRO   2           HG1      PRO   2   8.859  -5.776   6.681
   11    HD2  PRO   2           HD2      PRO   2  11.598  -6.992   6.826
   12    HD3  PRO   2           HD1      PRO   2  10.088  -7.524   7.600
   13    H    LEU   3           HN       LEU   3   9.975  -6.307   1.921
   14    HA   LEU   3           HA       LEU   3  12.098  -7.909   0.978
   15    HB2  LEU   3           HB2      LEU   3  11.935  -6.718  -1.094
   16    HB3  LEU   3           HB1      LEU   3  10.328  -7.104  -0.510
   17    HG   LEU   3           HG       LEU   3  11.539  -4.401  -0.039
   18   HD11  LEU   3          HD11      LEU   3  10.051  -5.317  -2.486
   19   HD12  LEU   3          HD12      LEU   3  11.736  -4.800  -2.407
   20   HD13  LEU   3          HD13      LEU   3  10.443  -3.640  -2.095
   21   HD21  LEU   3          HD21      LEU   3   9.586  -4.629   1.213
   22   HD22  LEU   3          HD22      LEU   3   8.763  -5.532  -0.057
   23   HD23  LEU   3          HD23      LEU   3   9.051  -3.803  -0.248
   24    H    GLY   4           HN       GLY   4  13.950  -7.670   1.990
   25    HA2  GLY   4           HA2      GLY   4  15.975  -6.786   2.507
   26    HA3  GLY   4           HA1      GLY   4  15.769  -5.813   1.066
   27    H    SER   5           HN       SER   5  16.537  -3.910   1.705
   28    HA   SER   5           HA       SER   5  15.251  -2.635   4.030
   29    HB2  SER   5           HB2      SER   5  17.954  -2.077   2.770
   30    HB3  SER   5           HB1      SER   5  17.251  -1.136   4.084
   31    HG   SER   5           HG       SER   5  17.575  -3.932   4.313
   32    H    MET   6           HN       MET   6  13.705  -2.623   1.923
   33    HA   MET   6           HA       MET   6  13.797   0.154   1.035
   34    HB2  MET   6           HB2      MET   6  13.090  -0.717  -1.290
   35    HB3  MET   6           HB1      MET   6  14.787  -0.834  -0.848
   36    HG2  MET   6           HG2      MET   6  14.342  -3.201  -0.150
   37    HG3  MET   6           HG1      MET   6  12.740  -3.036  -0.855
   38    HE1  MET   6           HE1      MET   6  13.133  -1.371  -3.441
   39    HE2  MET   6           HE2      MET   6  12.234  -2.890  -3.383
   40    HE3  MET   6           HE3      MET   6  13.457  -2.633  -4.630
   41    HA   PRO   7           HA       PRO   7   9.507  -1.697   1.847
   42    HB2  PRO   7           HB2      PRO   7   9.331  -1.192   4.609
   43    HB3  PRO   7           HB1      PRO   7   9.549  -2.753   3.821
   44    HG2  PRO   7           HG2      PRO   7  11.421  -1.481   5.457
   45    HG3  PRO   7           HG1      PRO   7  11.763  -2.814   4.340
   46    HD2  PRO   7           HD2      PRO   7  12.156   0.127   3.967
   47    HD3  PRO   7           HD1      PRO   7  13.176  -1.227   3.427
   48    H    GLU   8           HN       GLU   8  10.882   1.222   1.997
   49    HA   GLU   8           HA       GLU   8   8.198   2.361   1.823
   50    HB2  GLU   8           HB2      GLU   8  10.525   3.571   3.293
   51    HB3  GLU   8           HB1      GLU   8   9.261   4.583   2.603
   52    HG2  GLU   8           HG2      GLU   8   7.586   3.295   3.891
   53    HG3  GLU   8           HG1      GLU   8   8.910   2.422   4.661
   54    H    VAL   9           HN       VAL   9  11.306   1.890   0.590
   55    HA   VAL   9           HA       VAL   9  11.409   3.833  -1.432
   56    HB   VAL   9           HB       VAL   9  12.432   0.984  -1.512
   57   HG11  VAL   9          HG11      VAL   9  13.275   3.390  -3.117
   58   HG12  VAL   9          HG12      VAL   9  12.343   2.024  -3.726
   59   HG13  VAL   9          HG13      VAL   9  14.006   1.787  -3.186
   60   HG21  VAL   9          HG21      VAL   9  13.306   2.152   0.410
   61   HG22  VAL   9          HG22      VAL   9  13.760   3.528  -0.597
   62   HG23  VAL   9          HG23      VAL   9  14.576   1.976  -0.803
   63    H    ARG  10           HN       ARG  10   9.716   0.743  -1.141
   64    HA   ARG  10           HA       ARG  10   8.355   1.326  -3.677
   65    HB2  ARG  10           HB2      ARG  10   8.039  -1.115  -1.910
   66    HB3  ARG  10           HB1      ARG  10   7.417  -0.903  -3.541
   67    HG2  ARG  10           HG2      ARG  10  10.323  -1.028  -2.773
   68    HG3  ARG  10           HG1      ARG  10   9.385  -2.312  -3.526
   69    HD2  ARG  10           HD2      ARG  10   9.957   0.394  -4.725
   70    HD3  ARG  10           HD1      ARG  10  10.757  -1.115  -5.162
   71    HE   ARG  10           HE       ARG  10   8.173  -1.706  -5.626
   72   HH11  ARG  10          HH11      ARG  10  10.126   1.039  -6.575
   73   HH12  ARG  10          HH12      ARG  10   9.259   1.304  -8.060
   74   HH21  ARG  10          HH21      ARG  10   7.041  -1.360  -7.580
   75   HH22  ARG  10          HH22      ARG  10   7.520  -0.056  -8.624
   76    H    PHE  11           HN       PHE  11   7.678   0.683  -0.264
   77    HA   PHE  11           HA       PHE  11   4.891   0.791  -0.486
   78    HB2  PHE  11           HB2      PHE  11   6.721   1.174   1.877
   79    HB3  PHE  11           HB1      PHE  11   4.967   1.229   2.017
   80    HD1  PHE  11           HD2      PHE  11   7.552  -1.024   0.495
   81    HD2  PHE  11           HD1      PHE  11   3.978  -0.642   2.757
   82    HE1  PHE  11           HE2      PHE  11   7.469  -3.464   0.765
   83    HE2  PHE  11           HE1      PHE  11   3.892  -3.074   3.041
   84    HZ   PHE  11           HZ       PHE  11   5.631  -4.493   2.044
   85    H    GLN  12           HN       GLN  12   7.171   3.337   0.612
   86    HA   GLN  12           HA       GLN  12   5.164   5.107   1.447
   87    HB2  GLN  12           HB2      GLN  12   7.696   5.143   1.942
   88    HB3  GLN  12           HB1      GLN  12   7.835   6.030   0.431
   89    HG2  GLN  12           HG2      GLN  12   6.148   7.650   1.380
   90    HG3  GLN  12           HG1      GLN  12   6.385   6.839   2.927
   91   HE21  GLN  12          HE21      GLN  12   7.307   8.548   3.984
   92   HE22  GLN  12          HE22      GLN  12   8.861   9.199   3.572
   93    H    GLN  13           HN       GLN  13   6.847   4.788  -1.641
   94    HA   GLN  13           HA       GLN  13   5.783   7.079  -2.876
   95    HB2  GLN  13           HB2      GLN  13   6.647   4.466  -4.131
   96    HB3  GLN  13           HB1      GLN  13   6.359   5.964  -5.006
   97    HG2  GLN  13           HG2      GLN  13   8.523   5.388  -3.006
   98    HG3  GLN  13           HG1      GLN  13   8.695   5.770  -4.715
   99   HE21  GLN  13          HE21      GLN  13   8.109   7.011  -1.576
  100   HE22  GLN  13          HE22      GLN  13   8.247   8.668  -1.991
  101    H    GLN  14           HN       GLN  14   4.756   3.707  -2.896
  102    HA   GLN  14           HA       GLN  14   2.377   4.142  -4.376
  103    HB2  GLN  14           HB2      GLN  14   3.464   1.945  -2.702
  104    HB3  GLN  14           HB1      GLN  14   1.741   1.932  -3.042
  105    HG2  GLN  14           HG2      GLN  14   2.635   0.633  -4.728
  106    HG3  GLN  14           HG1      GLN  14   2.430   2.201  -5.503
  107   HE21  GLN  14          HE21      GLN  14   4.620  -0.184  -4.383
  108   HE22  GLN  14          HE22      GLN  14   6.050   0.499  -5.048
  109    H    LEU  15           HN       LEU  15   3.194   4.551  -1.047
  110    HA   LEU  15           HA       LEU  15   0.531   4.597  -0.028
  111    HB2  LEU  15           HB2      LEU  15   3.083   5.705   1.141
  112    HB3  LEU  15           HB1      LEU  15   1.548   5.619   1.988
  113    HG   LEU  15           HG       LEU  15   3.267   3.333   1.070
  114   HD11  LEU  15          HD11      LEU  15   3.952   4.277   3.163
  115   HD12  LEU  15          HD12      LEU  15   3.162   2.723   3.452
  116   HD13  LEU  15          HD13      LEU  15   2.297   4.226   3.769
  117   HD21  LEU  15          HD21      LEU  15   0.474   3.246   2.175
  118   HD22  LEU  15          HD22      LEU  15   1.534   1.856   1.948
  119   HD23  LEU  15          HD23      LEU  15   0.981   2.780   0.550
  120    H    GLU  16           HN       GLU  16   2.768   7.064  -1.200
  121    HA   GLU  16           HA       GLU  16   1.012   9.244  -0.621
  122    HB2  GLU  16           HB2      GLU  16   3.156   9.161  -2.746
  123    HB3  GLU  16           HB1      GLU  16   2.489  10.585  -1.954
  124    HG2  GLU  16           HG2      GLU  16   3.418   9.796   0.184
  125    HG3  GLU  16           HG1      GLU  16   4.141   8.434  -0.670
  126    H    GLN  17           HN       GLN  17   1.384   6.976  -3.194
  127    HA   GLN  17           HA       GLN  17  -0.294   8.191  -5.098
  128    HB2  GLN  17           HB2      GLN  17   1.156   6.336  -5.665
  129    HB3  GLN  17           HB1      GLN  17   0.304   5.308  -4.519
  130    HG2  GLN  17           HG2      GLN  17  -1.590   5.165  -5.874
  131    HG3  GLN  17           HG1      GLN  17  -1.115   6.563  -6.836
  132   HE21  GLN  17          HE21      GLN  17   1.165   4.100  -5.966
  133   HE22  GLN  17          HE22      GLN  17   1.346   3.424  -7.544
  134    H    LEU  18           HN       LEU  18  -0.984   5.698  -2.612
  135    HA   LEU  18           HA       LEU  18  -3.788   5.660  -2.984
  136    HB2  LEU  18           HB2      LEU  18  -2.061   5.027  -0.603
  137    HB3  LEU  18           HB1      LEU  18  -3.794   4.854  -0.573
  138    HG   LEU  18           HG       LEU  18  -1.972   3.356  -2.443
  139   HD11  LEU  18          HD11      LEU  18  -3.270   2.617   0.162
  140   HD12  LEU  18          HD12      LEU  18  -1.541   2.775  -0.148
  141   HD13  LEU  18          HD13      LEU  18  -2.459   1.476  -0.915
  142   HD21  LEU  18          HD21      LEU  18  -4.858   2.913  -1.693
  143   HD22  LEU  18          HD22      LEU  18  -3.913   1.990  -2.868
  144   HD23  LEU  18          HD23      LEU  18  -4.324   3.675  -3.193
  145    H    ASN  19           HN       ASN  19  -1.611   7.455  -0.987
  146    HA   ASN  19           HA       ASN  19  -3.235   8.953   0.616
  147    HB2  ASN  19           HB2      ASN  19  -0.694   8.934   0.425
  148    HB3  ASN  19           HB1      ASN  19  -0.875  10.040  -0.925
  149   HD21  ASN  19          HD21      ASN  19  -1.538  12.149  -0.566
  150   HD22  ASN  19          HD22      ASN  19  -1.483  12.871   1.003
  151    H    SER  20           HN       SER  20  -2.587   9.295  -2.770
  152    HA   SER  20           HA       SER  20  -3.981  11.849  -2.985
  153    HB2  SER  20           HB2      SER  20  -1.906  11.336  -4.301
  154    HB3  SER  20           HB1      SER  20  -2.832  10.130  -5.196
  155    HG   SER  20           HG       SER  20  -4.318  12.132  -5.481
  156    H    MET  21           HN       MET  21  -4.615   8.532  -3.245
  157    HA   MET  21           HA       MET  21  -6.856   8.583  -5.027
  158    HB2  MET  21           HB2      MET  21  -6.042   6.562  -2.925
  159    HB3  MET  21           HB1      MET  21  -7.199   6.276  -4.212
  160    HG2  MET  21           HG2      MET  21  -4.492   7.169  -4.980
  161    HG3  MET  21           HG1      MET  21  -4.663   5.535  -4.356
  162    HE1  MET  21           HE1      MET  21  -7.657   4.885  -5.395
  163    HE2  MET  21           HE2      MET  21  -6.327   3.729  -5.476
  164    HE3  MET  21           HE3      MET  21  -7.298   4.063  -6.911
  165    H    GLY  22           HN       GLY  22  -6.313   9.417  -1.792
  166    HA2  GLY  22           HA2      GLY  22  -8.015  10.433  -0.430
  167    HA3  GLY  22           HA1      GLY  22  -9.193   9.362  -1.184
  168    H    PHE  23           HN       PHE  23  -6.212   7.922  -0.512
  169    HA   PHE  23           HA       PHE  23  -7.308   6.627   1.891
  170    HB2  PHE  23           HB2      PHE  23  -5.554   5.619  -0.333
  171    HB3  PHE  23           HB1      PHE  23  -5.654   4.767   1.201
  172    HD1  PHE  23           HD1      PHE  23  -7.891   3.918   1.953
  173    HD2  PHE  23           HD2      PHE  23  -7.207   5.392  -1.978
  174    HE1  PHE  23           HE1      PHE  23  -9.937   2.799   1.181
  175    HE2  PHE  23           HE2      PHE  23  -9.250   4.269  -2.761
  176    HZ   PHE  23           HZ       PHE  23 -10.620   2.973  -1.178
  177    H    ILE  24           HN       ILE  24  -6.397   7.466   3.620
  178    HA   ILE  24           HA       ILE  24  -3.530   8.087   3.560
  179    HB   ILE  24           HB       ILE  24  -4.193   9.880   5.349
  180   HG12  ILE  24          HG12      ILE  24  -6.668   9.157   5.137
  181   HG13  ILE  24          HG11      ILE  24  -6.300  10.878   5.192
  182   HG21  ILE  24          HG21      ILE  24  -4.555  10.300   2.394
  183   HG22  ILE  24          HG22      ILE  24  -3.042  10.381   3.296
  184   HG23  ILE  24          HG23      ILE  24  -4.303  11.580   3.582
  185   HD11  ILE  24          HD11      ILE  24  -6.851   9.287   2.691
  186   HD12  ILE  24          HD12      ILE  24  -6.539  11.020   2.776
  187   HD13  ILE  24          HD13      ILE  24  -7.997  10.350   3.509
  188    H    ASN  25           HN       ASN  25  -5.634   6.039   4.734
  189    HA   ASN  25           HA       ASN  25  -4.805   5.892   7.476
  190    HB2  ASN  25           HB2      ASN  25  -6.877   4.748   6.167
  191    HB3  ASN  25           HB1      ASN  25  -5.717   3.448   6.026
  192   HD21  ASN  25          HD21      ASN  25  -4.464   4.101   8.623
  193   HD22  ASN  25          HD22      ASN  25  -5.583   3.537   9.818
  194    H    ARG  26           HN       ARG  26  -2.517   6.110   7.147
  195    HA   ARG  26           HA       ARG  26  -0.941   4.821   5.323
  196    HB2  ARG  26           HB2      ARG  26  -0.479   5.968   8.004
  197    HB3  ARG  26           HB1      ARG  26   0.757   4.869   7.402
  198    HG2  ARG  26           HG2      ARG  26  -0.251   7.246   5.877
  199    HG3  ARG  26           HG1      ARG  26   1.183   7.264   6.910
  200    HD2  ARG  26           HD2      ARG  26   2.431   6.157   5.390
  201    HD3  ARG  26           HD1      ARG  26   1.117   5.043   5.014
  202    HE   ARG  26           HE       ARG  26   0.388   6.446   3.349
  203   HH11  ARG  26          HH11      ARG  26   3.148   7.901   4.990
  204   HH12  ARG  26          HH12      ARG  26   3.301   9.177   3.824
  205   HH21  ARG  26          HH21      ARG  26   0.645   8.140   1.826
  206   HH22  ARG  26          HH22      ARG  26   1.906   9.316   2.057
  207    H    GLU  27           HN       GLU  27  -1.879   3.657   8.515
  208    HA   GLU  27           HA       GLU  27  -0.437   1.289   8.563
  209    HB2  GLU  27           HB2      GLU  27  -3.225   1.565   9.674
  210    HB3  GLU  27           HB1      GLU  27  -1.892   0.598  10.303
  211    HG2  GLU  27           HG2      GLU  27  -1.706   2.319  11.748
  212    HG3  GLU  27           HG1      GLU  27  -0.779   3.023  10.422
  213    H    ALA  28           HN       ALA  28  -3.672   1.923   7.254
  214    HA   ALA  28           HA       ALA  28  -4.133  -0.769   6.463
  215    HB1  ALA  28           HB1      ALA  28  -5.970   0.794   6.914
  216    HB2  ALA  28           HB2      ALA  28  -6.075   0.099   5.295
  217    HB3  ALA  28           HB3      ALA  28  -5.487   1.747   5.513
  218    H    ASN  29           HN       ASN  29  -3.102   2.183   4.816
  219    HA   ASN  29           HA       ASN  29  -2.976   1.290   2.203
  220    HB2  ASN  29           HB2      ASN  29  -1.161   3.230   3.648
  221    HB3  ASN  29           HB1      ASN  29  -1.165   3.002   1.911
  222   HD21  ASN  29          HD21      ASN  29  -1.663   5.275   1.780
  223   HD22  ASN  29          HD22      ASN  29  -3.295   5.806   1.965
  224    H    LEU  30           HN       LEU  30  -0.189   1.397   4.481
  225    HA   LEU  30           HA       LEU  30   1.373  -0.042   2.557
  226    HB2  LEU  30           HB2      LEU  30   3.079  -0.124   4.514
  227    HB3  LEU  30           HB1      LEU  30   2.763   1.378   3.679
  228    HG   LEU  30           HG       LEU  30   1.213   1.990   5.576
  229   HD11  LEU  30          HD11      LEU  30   1.528   0.846   7.690
  230   HD12  LEU  30          HD12      LEU  30   2.548  -0.356   6.896
  231   HD13  LEU  30          HD13      LEU  30   0.841  -0.227   6.477
  232   HD21  LEU  30          HD21      LEU  30   3.031   2.638   7.071
  233   HD22  LEU  30          HD22      LEU  30   3.458   2.918   5.382
  234   HD23  LEU  30          HD23      LEU  30   4.116   1.524   6.238
  235    H    GLN  31           HN       GLN  31  -0.541  -1.010   5.330
  236    HA   GLN  31           HA       GLN  31   0.640  -3.583   5.588
  237    HB2  GLN  31           HB2      GLN  31  -1.905  -2.349   6.454
  238    HB3  GLN  31           HB1      GLN  31  -1.857  -4.101   6.362
  239    HG2  GLN  31           HG2      GLN  31   0.324  -2.645   7.768
  240    HG3  GLN  31           HG1      GLN  31  -1.221  -2.903   8.577
  241   HE21  GLN  31          HE21      GLN  31  -0.072  -5.229   6.280
  242   HE22  GLN  31          HE22      GLN  31   0.353  -6.454   7.423
  243    H    ALA  32           HN       ALA  32  -1.591  -2.168   3.401
  244    HA   ALA  32           HA       ALA  32  -2.499  -4.659   2.273
  245    HB1  ALA  32           HB1      ALA  32  -2.654  -1.841   1.176
  246    HB2  ALA  32           HB2      ALA  32  -3.907  -2.661   2.108
  247    HB3  ALA  32           HB3      ALA  32  -3.475  -3.249   0.503
  248    H    LEU  33           HN       LEU  33   0.001  -2.298   1.758
  249    HA   LEU  33           HA       LEU  33   1.049  -3.528  -0.594
  250    HB2  LEU  33           HB2      LEU  33   1.893  -1.348   1.237
  251    HB3  LEU  33           HB1      LEU  33   3.107  -2.082   0.213
  252    HG   LEU  33           HG       LEU  33   1.220  -1.574  -1.622
  253   HD11  LEU  33          HD11      LEU  33  -0.357  -0.479  -0.222
  254   HD12  LEU  33          HD12      LEU  33   0.418   0.748  -1.234
  255   HD13  LEU  33          HD13      LEU  33   0.895   0.562   0.454
  256   HD21  LEU  33          HD21      LEU  33   3.589  -0.963  -1.673
  257   HD22  LEU  33          HD22      LEU  33   3.236   0.407  -0.617
  258   HD23  LEU  33          HD23      LEU  33   2.545   0.340  -2.237
  259    H    ILE  34           HN       ILE  34   1.367  -4.082   2.808
  260    HA   ILE  34           HA       ILE  34   3.845  -5.506   2.663
  261    HB   ILE  34           HB       ILE  34   1.669  -5.757   4.759
  262   HG12  ILE  34          HG12      ILE  34   4.112  -3.985   4.625
  263   HG13  ILE  34          HG11      ILE  34   2.434  -3.485   4.716
  264   HG21  ILE  34          HG21      ILE  34   3.482  -6.653   6.182
  265   HG22  ILE  34          HG22      ILE  34   4.556  -6.623   4.783
  266   HG23  ILE  34          HG23      ILE  34   3.136  -7.668   4.781
  267   HD11  ILE  34          HD11      ILE  34   3.972  -4.887   6.887
  268   HD12  ILE  34          HD12      ILE  34   2.275  -4.407   6.967
  269   HD13  ILE  34          HD13      ILE  34   3.534  -3.178   6.838
  270    H    ALA  35           HN       ALA  35   0.441  -6.319   2.490
  271    HA   ALA  35           HA       ALA  35   0.901  -9.144   2.302
  272    HB1  ALA  35           HB1      ALA  35  -1.497  -9.287   1.932
  273    HB2  ALA  35           HB2      ALA  35  -1.585  -7.536   1.739
  274    HB3  ALA  35           HB3      ALA  35  -1.133  -8.231   3.295
  275    H    THR  36           HN       THR  36   0.813  -6.505   0.050
  276    HA   THR  36           HA       THR  36   0.575  -8.374  -2.205
  277    HB   THR  36           HB       THR  36   0.348  -6.316  -3.603
  278    HG1  THR  36           HG1      THR  36  -0.161  -4.813  -1.294
  279   HG21  THR  36          HG21      THR  36  -1.596  -6.607  -1.305
  280   HG22  THR  36          HG22      THR  36  -1.643  -7.478  -2.839
  281   HG23  THR  36          HG23      THR  36  -1.919  -5.736  -2.806
  282    H    GLY  37           HN       GLY  37   2.856  -6.482  -0.495
  283    HA2  GLY  37           HA2      GLY  37   5.134  -6.347  -0.680
  284    HA3  GLY  37           HA1      GLY  37   5.044  -7.514  -1.988
  285    H    GLY  38           HN       GLY  38   3.280  -4.471  -2.128
  286    HA2  GLY  38           HA2      GLY  38   4.188  -2.423  -2.973
  287    HA3  GLY  38           HA1      GLY  38   5.430  -3.359  -3.796
  288    H    ASP  39           HN       ASP  39   2.220  -4.567  -3.887
  289    HA   ASP  39           HA       ASP  39   1.960  -3.627  -6.659
  290    HB2  ASP  39           HB2      ASP  39   1.858  -6.134  -6.325
  291    HB3  ASP  39           HB1      ASP  39   0.388  -5.882  -5.386
  292    H    ILE  40           HN       ILE  40   1.165  -1.694  -6.298
  293    HA   ILE  40           HA       ILE  40  -0.466  -1.104  -4.089
  294    HB   ILE  40           HB       ILE  40   1.145   0.378  -5.323
  295   HG12  ILE  40          HG12      ILE  40  -0.841   0.796  -3.568
  296   HG13  ILE  40          HG11      ILE  40   0.267   2.032  -4.104
  297   HG21  ILE  40          HG21      ILE  40  -1.284   0.845  -7.055
  298   HG22  ILE  40          HG22      ILE  40   0.258   0.174  -7.579
  299   HG23  ILE  40          HG23      ILE  40   0.162   1.851  -7.042
  300   HD11  ILE  40          HD11      ILE  40  -1.361   2.818  -5.742
  301   HD12  ILE  40          HD12      ILE  40  -2.020   2.848  -4.106
  302   HD13  ILE  40          HD13      ILE  40  -2.482   1.559  -5.219
  303    H    ASN  41           HN       ASN  41  -1.159  -2.034  -7.343
  304    HA   ASN  41           HA       ASN  41  -3.784  -1.054  -7.521
  305    HB2  ASN  41           HB2      ASN  41  -2.911  -3.655  -8.780
  306    HB3  ASN  41           HB1      ASN  41  -4.068  -2.479  -9.394
  307   HD21  ASN  41          HD21      ASN  41  -0.760  -3.386  -9.145
  308   HD22  ASN  41          HD22      ASN  41  -0.132  -2.179 -10.221
  309    H    ALA  42           HN       ALA  42  -2.464  -4.198  -6.579
  310    HA   ALA  42           HA       ALA  42  -4.924  -5.305  -5.725
  311    HB1  ALA  42           HB1      ALA  42  -3.550  -7.053  -4.720
  312    HB2  ALA  42           HB2      ALA  42  -2.106  -6.072  -4.972
  313    HB3  ALA  42           HB3      ALA  42  -3.011  -6.684  -6.357
  314    H    ALA  43           HN       ALA  43  -2.367  -3.477  -4.085
  315    HA   ALA  43           HA       ALA  43  -3.235  -3.586  -1.470
  316    HB1  ALA  43           HB1      ALA  43  -1.223  -2.405  -2.180
  317    HB2  ALA  43           HB2      ALA  43  -2.247  -1.383  -1.173
  318    HB3  ALA  43           HB3      ALA  43  -2.214  -1.148  -2.921
  319    H    ILE  44           HN       ILE  44  -4.392  -1.354  -4.025
  320    HA   ILE  44           HA       ILE  44  -6.359  -0.097  -2.410
  321    HB   ILE  44           HB       ILE  44  -6.789  -0.414  -5.365
  322   HG12  ILE  44          HG12      ILE  44  -4.851   1.572  -4.177
  323   HG13  ILE  44          HG11      ILE  44  -4.343   0.067  -4.933
  324   HG21  ILE  44          HG21      ILE  44  -8.398   0.825  -3.989
  325   HG22  ILE  44          HG22      ILE  44  -7.592   1.875  -5.154
  326   HG23  ILE  44          HG23      ILE  44  -7.106   1.904  -3.459
  327   HD11  ILE  44          HD11      ILE  44  -5.337   0.784  -7.037
  328   HD12  ILE  44          HD12      ILE  44  -4.146   1.946  -6.459
  329   HD13  ILE  44          HD13      ILE  44  -5.867   2.287  -6.282
  330    H    GLU  45           HN       GLU  45  -6.433  -2.900  -4.566
  331    HA   GLU  45           HA       GLU  45  -9.185  -3.418  -4.409
  332    HB2  GLU  45           HB2      GLU  45  -6.882  -5.315  -4.836
  333    HB3  GLU  45           HB1      GLU  45  -8.574  -5.757  -5.024
  334    HG2  GLU  45           HG2      GLU  45  -8.755  -3.958  -6.760
  335    HG3  GLU  45           HG1      GLU  45  -7.004  -3.774  -6.655
  336    H    ARG  46           HN       ARG  46  -6.606  -4.003  -2.153
  337    HA   ARG  46           HA       ARG  46  -8.234  -5.747  -0.518
  338    HB2  ARG  46           HB2      ARG  46  -5.578  -4.418   0.022
  339    HB3  ARG  46           HB1      ARG  46  -6.388  -5.498   1.150
  340    HG2  ARG  46           HG2      ARG  46  -6.350  -7.249  -0.622
  341    HG3  ARG  46           HG1      ARG  46  -5.344  -6.168  -1.588
  342    HD2  ARG  46           HD2      ARG  46  -3.699  -6.113   0.233
  343    HD3  ARG  46           HD1      ARG  46  -4.691  -7.246   1.141
  344    HE   ARG  46           HE       ARG  46  -3.554  -7.900  -1.502
  345   HH11  ARG  46          HH11      ARG  46  -4.286  -8.882   1.808
  346   HH12  ARG  46          HH12      ARG  46  -3.445 -10.385   1.647
  347   HH21  ARG  46          HH21      ARG  46  -2.430  -9.864  -1.646
  348   HH22  ARG  46          HH22      ARG  46  -2.381 -10.930  -0.272
  349    H    LEU  47           HN       LEU  47  -7.420  -2.350  -0.644
  350    HA   LEU  47           HA       LEU  47  -8.472  -1.667   1.904
  351    HB2  LEU  47           HB2      LEU  47  -8.042  -0.009  -0.573
  352    HB3  LEU  47           HB1      LEU  47  -8.494   0.652   0.988
  353    HG   LEU  47           HG       LEU  47  -5.970  -0.927   0.524
  354   HD11  LEU  47          HD11      LEU  47  -6.412   2.046   0.559
  355   HD12  LEU  47          HD12      LEU  47  -5.935   1.070  -0.831
  356   HD13  LEU  47          HD13      LEU  47  -4.841   1.242   0.545
  357   HD21  LEU  47          HD21      LEU  47  -5.295   0.066   2.649
  358   HD22  LEU  47          HD22      LEU  47  -6.768  -0.884   2.835
  359   HD23  LEU  47          HD23      LEU  47  -6.857   0.875   2.776
  360    H    LEU  48           HN       LEU  48  -9.850  -1.755  -1.348
  361    HA   LEU  48           HA       LEU  48 -12.453  -0.943  -0.344
  362    HB2  LEU  48           HB2      LEU  48 -11.427  -1.658  -3.077
  363    HB3  LEU  48           HB1      LEU  48 -13.140  -1.496  -2.764
  364    HG   LEU  48           HG       LEU  48 -12.439   0.540  -3.714
  365   HD11  LEU  48          HD11      LEU  48 -12.981   2.134  -2.013
  366   HD12  LEU  48          HD12      LEU  48 -12.536   0.995  -0.743
  367   HD13  LEU  48          HD13      LEU  48 -13.941   0.677  -1.759
  368   HD21  LEU  48          HD21      LEU  48 -10.589   1.874  -2.875
  369   HD22  LEU  48          HD22      LEU  48 -10.031   0.277  -3.371
  370   HD23  LEU  48          HD23      LEU  48 -10.236   0.648  -1.659
  371    H    GLY  49           HN       GLY  49 -10.785  -3.812  -1.409
  372    HA2  GLY  49           HA2      GLY  49 -13.222  -5.359  -1.600
  373    HA3  GLY  49           HA1      GLY  49 -11.585  -5.941  -1.838
  374    H    SER  50           HN       SER  50 -10.443  -5.287   0.614
  375    HA   SER  50           HA       SER  50 -11.762  -7.320   2.249
  376    HB2  SER  50           HB2      SER  50  -8.965  -6.203   2.505
  377    HB3  SER  50           HB1      SER  50  -9.619  -7.598   3.348
  378    HG   SER  50           HG       SER  50  -9.914  -7.793   0.650
  379    H    GLN  51           HN       GLN  51 -13.376  -5.778   2.942
  380    HA   GLN  51           HA       GLN  51 -12.377  -3.895   4.949
  381    HB2  GLN  51           HB2      GLN  51 -14.591  -2.739   4.686
  382    HB3  GLN  51           HB1      GLN  51 -13.530  -2.641   3.292
  383    HG2  GLN  51           HG2      GLN  51 -14.811  -4.451   2.222
  384    HG3  GLN  51           HG1      GLN  51 -15.901  -4.467   3.607
  385   HE21  GLN  51          HE21      GLN  51 -14.861  -2.713   0.792
  386   HE22  GLN  51          HE22      GLN  51 -16.173  -1.587   0.772
  387    H    LEU  52           HN       LEU  52 -12.214  -5.441   6.514
  388    HA   LEU  52           HA       LEU  52 -14.707  -6.770   7.292
  389    HB2  LEU  52           HB2      LEU  52 -11.821  -7.542   7.684
  390    HB3  LEU  52           HB1      LEU  52 -13.121  -8.288   8.579
  391    HG   LEU  52           HG       LEU  52 -12.572  -9.761   6.821
  392   HD11  LEU  52          HD11      LEU  52 -15.035  -8.259   5.959
  393   HD12  LEU  52          HD12      LEU  52 -14.969  -9.470   7.240
  394   HD13  LEU  52          HD13      LEU  52 -14.628  -9.932   5.571
  395   HD21  LEU  52          HD21      LEU  52 -11.349  -8.210   5.396
  396   HD22  LEU  52          HD22      LEU  52 -12.864  -7.455   4.904
  397   HD23  LEU  52          HD23      LEU  52 -12.533  -9.131   4.471
  398    H    SER  53           HN       SER  53 -15.419  -4.917   8.369
  399    HA   SER  53           HA       SER  53 -13.956  -4.218  10.811
  400    HB2  SER  53           HB2      SER  53 -15.515  -2.182  10.717
  401    HB3  SER  53           HB1      SER  53 -14.261  -2.282   9.479
  402    HG   SER  53           HG       SER  53 -16.970  -3.110   9.167
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  23.149  -4.728  -4.724
    2    H2   GLY   1           HT2      GLY   1  22.994  -6.314  -5.295
    3    H3   GLY   1           HT3      GLY   1  22.647  -5.956  -3.673
    4    HA2  GLY   1           HA1      GLY   1  21.150  -4.856  -5.991
    5    HA3  GLY   1           HA2      GLY   1  20.636  -6.253  -5.053
    6    HA   PRO   2           HA       PRO   2  19.152  -2.127  -3.093
    7    HB2  PRO   2           HB2      PRO   2  16.539  -3.112  -4.074
    8    HB3  PRO   2           HB1      PRO   2  17.189  -1.471  -4.063
    9    HG2  PRO   2           HG2      PRO   2  16.991  -2.849  -6.335
   10    HG3  PRO   2           HG1      PRO   2  18.387  -1.794  -6.025
   11    HD2  PRO   2           HD2      PRO   2  18.174  -4.777  -5.809
   12    HD3  PRO   2           HD1      PRO   2  19.491  -3.789  -6.477
   13    H    LEU   3           HN       LEU   3  17.792  -2.115  -1.200
   14    HA   LEU   3           HA       LEU   3  17.692  -4.767   0.012
   15    HB2  LEU   3           HB2      LEU   3  17.691  -2.008   1.209
   16    HB3  LEU   3           HB1      LEU   3  17.451  -3.466   2.151
   17    HG   LEU   3           HG       LEU   3  19.931  -2.808   0.554
   18   HD11  LEU   3          HD11      LEU   3  20.999  -2.512   2.734
   19   HD12  LEU   3          HD12      LEU   3  19.443  -2.769   3.530
   20   HD13  LEU   3          HD13      LEU   3  19.682  -1.359   2.495
   21   HD21  LEU   3          HD21      LEU   3  20.899  -4.738   1.737
   22   HD22  LEU   3          HD22      LEU   3  19.567  -5.199   0.677
   23   HD23  LEU   3          HD23      LEU   3  19.314  -5.099   2.417
   24    H    GLY   4           HN       GLY   4  15.821  -5.760  -0.047
   25    HA2  GLY   4           HA2      GLY   4  13.287  -4.486  -0.222
   26    HA3  GLY   4           HA1      GLY   4  13.572  -6.170   0.200
   27    H    SER   5           HN       SER   5  15.448  -4.872   2.356
   28    HA   SER   5           HA       SER   5  13.391  -4.712   4.394
   29    HB2  SER   5           HB2      SER   5  16.382  -4.421   4.756
   30    HB3  SER   5           HB1      SER   5  15.178  -4.870   5.969
   31    HG   SER   5           HG       SER   5  14.821  -6.796   4.812
   32    H    MET   6           HN       MET   6  13.147  -2.737   2.609
   33    HA   MET   6           HA       MET   6  13.452  -0.413   4.333
   34    HB2  MET   6           HB2      MET   6  14.146  -0.379   1.380
   35    HB3  MET   6           HB1      MET   6  14.054   1.026   2.422
   36    HG2  MET   6           HG2      MET   6  15.916   0.072   3.763
   37    HG3  MET   6           HG1      MET   6  16.050  -1.209   2.560
   38    HE1  MET   6           HE1      MET   6  15.161   0.706   0.008
   39    HE2  MET   6           HE2      MET   6  16.369  -0.575  -0.124
   40    HE3  MET   6           HE3      MET   6  16.753   1.063  -0.661
   41    HA   PRO   7           HA       PRO   7   9.421  -1.892   2.447
   42    HB2  PRO   7           HB2      PRO   7   8.499  -0.762   5.057
   43    HB3  PRO   7           HB1      PRO   7   7.996  -2.245   4.230
   44    HG2  PRO   7           HG2      PRO   7   9.652  -2.454   6.254
   45    HG3  PRO   7           HG1      PRO   7   9.998  -3.360   4.764
   46    HD2  PRO   7           HD2      PRO   7  11.200  -0.774   5.716
   47    HD3  PRO   7           HD1      PRO   7  12.010  -2.211   5.048
   48    H    GLU   8           HN       GLU   8  10.028   1.259   4.027
   49    HA   GLU   8           HA       GLU   8   7.712   2.350   2.661
   50    HB2  GLU   8           HB2      GLU   8   9.587   3.482   4.704
   51    HB3  GLU   8           HB1      GLU   8   8.442   4.505   3.839
   52    HG2  GLU   8           HG2      GLU   8   6.668   2.818   4.599
   53    HG3  GLU   8           HG1      GLU   8   7.890   2.258   5.741
   54    H    VAL   9           HN       VAL   9  10.767   1.748   1.686
   55    HA   VAL   9           HA       VAL   9  11.063   4.098   0.029
   56    HB   VAL   9           HB       VAL   9  12.475   1.415  -0.057
   57   HG11  VAL   9          HG11      VAL   9  12.500   2.390  -2.275
   58   HG12  VAL   9          HG12      VAL   9  14.097   2.508  -1.542
   59   HG13  VAL   9          HG13      VAL   9  13.057   3.929  -1.618
   60   HG21  VAL   9          HG21      VAL   9  12.990   2.691   1.928
   61   HG22  VAL   9          HG22      VAL   9  13.333   4.121   0.955
   62   HG23  VAL   9          HG23      VAL   9  14.376   2.702   0.840
   63    H    ARG  10           HN       ARG  10   9.530   1.005  -0.095
   64    HA   ARG  10           HA       ARG  10   8.692   1.454  -2.871
   65    HB2  ARG  10           HB2      ARG  10   8.069  -0.943  -1.112
   66    HB3  ARG  10           HB1      ARG  10   7.881  -0.815  -2.854
   67    HG2  ARG  10           HG2      ARG  10  10.521  -0.762  -1.407
   68    HG3  ARG  10           HG1      ARG  10   9.817  -2.178  -2.189
   69    HD2  ARG  10           HD2      ARG  10   9.808  -0.927  -4.325
   70    HD3  ARG  10           HD1      ARG  10  10.634   0.403  -3.511
   71    HE   ARG  10           HE       ARG  10  11.900  -2.231  -3.421
   72   HH11  ARG  10          HH11      ARG  10  11.789   0.981  -4.842
   73   HH12  ARG  10          HH12      ARG  10  13.410   0.884  -5.468
   74   HH21  ARG  10          HH21      ARG  10  14.029  -2.352  -4.260
   75   HH22  ARG  10          HH22      ARG  10  14.672  -0.996  -5.155
   76    H    PHE  11           HN       PHE  11   7.391   0.702   0.337
   77    HA   PHE  11           HA       PHE  11   4.689   0.830  -0.393
   78    HB2  PHE  11           HB2      PHE  11   6.017   1.129   2.304
   79    HB3  PHE  11           HB1      PHE  11   4.270   1.024   2.075
   80    HD1  PHE  11           HD2      PHE  11   5.341  -0.994  -0.403
   81    HD2  PHE  11           HD1      PHE  11   5.340  -0.875   3.854
   82    HE1  PHE  11           HE2      PHE  11   5.496  -3.442  -0.339
   83    HE2  PHE  11           HE1      PHE  11   5.499  -3.330   3.921
   84    HZ   PHE  11           HZ       PHE  11   5.549  -4.610   1.882
   85    H    GLN  12           HN       GLN  12   6.694   3.281   1.312
   86    HA   GLN  12           HA       GLN  12   4.542   5.019   1.730
   87    HB2  GLN  12           HB2      GLN  12   6.589   5.230   3.018
   88    HB3  GLN  12           HB1      GLN  12   7.481   5.691   1.573
   89    HG2  GLN  12           HG2      GLN  12   6.175   7.715   1.370
   90    HG3  GLN  12           HG1      GLN  12   5.192   7.249   2.750
   91   HE21  GLN  12          HE21      GLN  12   7.293   6.291   4.408
   92   HE22  GLN  12          HE22      GLN  12   8.237   7.662   4.887
   93    H    GLN  13           HN       GLN  13   6.710   4.703  -1.025
   94    HA   GLN  13           HA       GLN  13   5.947   7.080  -2.345
   95    HB2  GLN  13           HB2      GLN  13   6.904   4.431  -3.446
   96    HB3  GLN  13           HB1      GLN  13   6.690   5.878  -4.423
   97    HG2  GLN  13           HG2      GLN  13   8.626   5.473  -2.158
   98    HG3  GLN  13           HG1      GLN  13   8.990   5.720  -3.858
   99   HE21  GLN  13          HE21      GLN  13   7.948   7.186  -0.942
  100   HE22  GLN  13          HE22      GLN  13   8.090   8.809  -1.463
  101    H    GLN  14           HN       GLN  14   4.780   3.760  -2.600
  102    HA   GLN  14           HA       GLN  14   2.541   4.435  -4.218
  103    HB2  GLN  14           HB2      GLN  14   3.332   2.030  -2.644
  104    HB3  GLN  14           HB1      GLN  14   1.666   2.178  -3.184
  105    HG2  GLN  14           HG2      GLN  14   2.556   1.016  -4.921
  106    HG3  GLN  14           HG1      GLN  14   2.783   2.665  -5.495
  107   HE21  GLN  14          HE21      GLN  14   4.295  -0.192  -4.330
  108   HE22  GLN  14          HE22      GLN  14   5.928   0.258  -4.691
  109    H    LEU  15           HN       LEU  15   3.154   4.727  -0.835
  110    HA   LEU  15           HA       LEU  15   0.410   4.755  -0.019
  111    HB2  LEU  15           HB2      LEU  15   2.801   5.928   1.404
  112    HB3  LEU  15           HB1      LEU  15   1.213   5.679   2.098
  113    HG   LEU  15           HG       LEU  15   3.292   3.640   1.402
  114   HD11  LEU  15          HD11      LEU  15   2.776   2.889   3.686
  115   HD12  LEU  15          HD12      LEU  15   1.624   4.216   3.836
  116   HD13  LEU  15          HD13      LEU  15   3.342   4.563   3.627
  117   HD21  LEU  15          HD21      LEU  15   1.165   2.919   0.387
  118   HD22  LEU  15          HD22      LEU  15   0.402   3.060   1.970
  119   HD23  LEU  15          HD23      LEU  15   1.689   1.887   1.718
  120    H    GLU  16           HN       GLU  16   2.736   7.147  -1.099
  121    HA   GLU  16           HA       GLU  16   1.019   9.399  -0.704
  122    HB2  GLU  16           HB2      GLU  16   3.241   9.075  -2.730
  123    HB3  GLU  16           HB1      GLU  16   2.556  10.590  -2.151
  124    HG2  GLU  16           HG2      GLU  16   3.355   9.988   0.127
  125    HG3  GLU  16           HG1      GLU  16   4.178   8.606  -0.598
  126    H    GLN  17           HN       GLN  17   1.461   7.000  -3.170
  127    HA   GLN  17           HA       GLN  17  -0.168   8.176  -5.148
  128    HB2  GLN  17           HB2      GLN  17   1.378   6.300  -5.556
  129    HB3  GLN  17           HB1      GLN  17   0.341   5.276  -4.567
  130    HG2  GLN  17           HG2      GLN  17  -1.389   5.318  -6.149
  131    HG3  GLN  17           HG1      GLN  17  -0.685   6.683  -7.010
  132   HE21  GLN  17          HE21      GLN  17   1.235   4.000  -5.904
  133   HE22  GLN  17          HE22      GLN  17   1.557   3.331  -7.464
  134    H    LEU  18           HN       LEU  18  -0.891   5.798  -2.562
  135    HA   LEU  18           HA       LEU  18  -3.703   5.708  -3.106
  136    HB2  LEU  18           HB2      LEU  18  -2.198   5.108  -0.585
  137    HB3  LEU  18           HB1      LEU  18  -3.890   4.807  -0.798
  138    HG   LEU  18           HG       LEU  18  -1.784   3.478  -2.473
  139   HD11  LEU  18          HD11      LEU  18  -3.121   2.609   0.072
  140   HD12  LEU  18          HD12      LEU  18  -1.415   3.011  -0.124
  141   HD13  LEU  18          HD13      LEU  18  -2.085   1.591  -0.935
  142   HD21  LEU  18          HD21      LEU  18  -3.537   1.904  -2.951
  143   HD22  LEU  18          HD22      LEU  18  -4.137   3.526  -3.312
  144   HD23  LEU  18          HD23      LEU  18  -4.625   2.711  -1.821
  145    H    ASN  19           HN       ASN  19  -1.583   7.575  -1.131
  146    HA   ASN  19           HA       ASN  19  -3.223   9.140   0.429
  147    HB2  ASN  19           HB2      ASN  19  -0.689   9.195   0.184
  148    HB3  ASN  19           HB1      ASN  19  -0.931  10.181  -1.244
  149   HD21  ASN  19          HD21      ASN  19  -1.410  12.293  -1.064
  150   HD22  ASN  19          HD22      ASN  19  -1.484  13.142   0.440
  151    H    SER  20           HN       SER  20  -2.598   9.276  -2.968
  152    HA   SER  20           HA       SER  20  -4.141  11.715  -3.372
  153    HB2  SER  20           HB2      SER  20  -2.059  11.319  -4.657
  154    HB3  SER  20           HB1      SER  20  -2.790   9.886  -5.380
  155    HG   SER  20           HG       SER  20  -4.518  11.497  -6.028
  156    H    MET  21           HN       MET  21  -4.836   8.515  -2.991
  157    HA   MET  21           HA       MET  21  -7.096   8.452  -4.853
  158    HB2  MET  21           HB2      MET  21  -6.210   6.315  -2.902
  159    HB3  MET  21           HB1      MET  21  -7.285   6.107  -4.270
  160    HG2  MET  21           HG2      MET  21  -5.284   6.806  -5.697
  161    HG3  MET  21           HG1      MET  21  -4.330   6.519  -4.257
  162    HE1  MET  21           HE1      MET  21  -3.513   3.429  -6.464
  163    HE2  MET  21           HE2      MET  21  -2.864   4.795  -5.557
  164    HE3  MET  21           HE3      MET  21  -3.819   5.077  -7.012
  165    H    GLY  22           HN       GLY  22  -6.352   9.463  -1.808
  166    HA2  GLY  22           HA2      GLY  22  -7.881  10.384  -0.267
  167    HA3  GLY  22           HA1      GLY  22  -9.139   9.340  -0.915
  168    H    PHE  23           HN       PHE  23  -6.155   7.803  -0.432
  169    HA   PHE  23           HA       PHE  23  -7.115   6.650   2.098
  170    HB2  PHE  23           HB2      PHE  23  -5.526   5.545  -0.175
  171    HB3  PHE  23           HB1      PHE  23  -5.335   4.844   1.431
  172    HD1  PHE  23           HD1      PHE  23  -7.358   3.909   2.577
  173    HD2  PHE  23           HD2      PHE  23  -7.377   5.052  -1.521
  174    HE1  PHE  23           HE1      PHE  23  -9.363   2.533   2.209
  175    HE2  PHE  23           HE2      PHE  23  -9.387   3.680  -1.896
  176    HZ   PHE  23           HZ       PHE  23 -10.427   2.487  -0.021
  177    H    ILE  24           HN       ILE  24  -6.184   7.478   3.769
  178    HA   ILE  24           HA       ILE  24  -3.364   8.259   3.624
  179    HB   ILE  24           HB       ILE  24  -4.104  10.070   5.394
  180   HG12  ILE  24          HG12      ILE  24  -6.541   9.233   5.153
  181   HG13  ILE  24          HG11      ILE  24  -6.249  10.967   5.171
  182   HG21  ILE  24          HG21      ILE  24  -4.404  10.358   2.419
  183   HG22  ILE  24          HG22      ILE  24  -2.936  10.581   3.371
  184   HG23  ILE  24          HG23      ILE  24  -4.284  11.703   3.551
  185   HD11  ILE  24          HD11      ILE  24  -6.661   9.303   2.693
  186   HD12  ILE  24          HD12      ILE  24  -6.457  11.053   2.755
  187   HD13  ILE  24          HD13      ILE  24  -7.887  10.307   3.472
  188    H    ASN  25           HN       ASN  25  -5.546   6.310   5.081
  189    HA   ASN  25           HA       ASN  25  -4.265   6.082   7.613
  190    HB2  ASN  25           HB2      ASN  25  -5.129   3.568   7.226
  191    HB3  ASN  25           HB1      ASN  25  -6.196   4.842   7.775
  192   HD21  ASN  25          HD21      ASN  25  -5.041   3.177   4.918
  193   HD22  ASN  25          HD22      ASN  25  -6.498   3.356   4.001
  194    H    ARG  26           HN       ARG  26  -2.149   6.388   6.862
  195    HA   ARG  26           HA       ARG  26  -0.733   4.978   4.993
  196    HB2  ARG  26           HB2      ARG  26   0.020   6.158   7.642
  197    HB3  ARG  26           HB1      ARG  26   1.233   5.367   6.637
  198    HG2  ARG  26           HG2      ARG  26  -0.519   7.582   5.612
  199    HG3  ARG  26           HG1      ARG  26   1.017   7.890   6.420
  200    HD2  ARG  26           HD2      ARG  26   2.253   6.917   4.722
  201    HD3  ARG  26           HD1      ARG  26   0.893   5.966   4.136
  202    HE   ARG  26           HE       ARG  26   0.251   7.728   2.824
  203   HH11  ARG  26          HH11      ARG  26   2.569   8.881   5.175
  204   HH12  ARG  26          HH12      ARG  26   2.787  10.417   4.401
  205   HH21  ARG  26          HH21      ARG  26   0.527   9.735   1.793
  206   HH22  ARG  26          HH22      ARG  26   1.614  10.905   2.470
  207    H    GLU  27           HN       GLU  27  -1.593   4.072   8.253
  208    HA   GLU  27           HA       GLU  27  -0.277   1.677   8.583
  209    HB2  GLU  27           HB2      GLU  27  -3.076   2.512   9.348
  210    HB3  GLU  27           HB1      GLU  27  -2.286   1.072   9.963
  211    HG2  GLU  27           HG2      GLU  27  -0.630   2.366  11.082
  212    HG3  GLU  27           HG1      GLU  27  -1.149   3.836  10.266
  213    H    ALA  28           HN       ALA  28  -3.580   2.055   7.246
  214    HA   ALA  28           HA       ALA  28  -3.727  -0.699   6.613
  215    HB1  ALA  28           HB1      ALA  28  -5.869  -0.172   5.564
  216    HB2  ALA  28           HB2      ALA  28  -5.534   1.545   5.763
  217    HB3  ALA  28           HB3      ALA  28  -5.735   0.523   7.179
  218    H    ASN  29           HN       ASN  29  -3.087   2.254   4.770
  219    HA   ASN  29           HA       ASN  29  -3.011   1.332   2.190
  220    HB2  ASN  29           HB2      ASN  29  -1.119   3.258   3.561
  221    HB3  ASN  29           HB1      ASN  29  -1.136   2.982   1.830
  222   HD21  ASN  29          HD21      ASN  29  -1.567   5.216   1.559
  223   HD22  ASN  29          HD22      ASN  29  -3.167   5.839   1.784
  224    H    LEU  30           HN       LEU  30  -0.137   1.377   4.379
  225    HA   LEU  30           HA       LEU  30   1.278  -0.158   2.419
  226    HB2  LEU  30           HB2      LEU  30   3.128  -0.236   4.127
  227    HB3  LEU  30           HB1      LEU  30   2.680   1.330   3.497
  228    HG   LEU  30           HG       LEU  30   1.394   1.733   5.609
  229   HD11  LEU  30          HD11      LEU  30   2.048   0.353   7.573
  230   HD12  LEU  30          HD12      LEU  30   2.797  -0.802   6.472
  231   HD13  LEU  30          HD13      LEU  30   1.059  -0.524   6.408
  232   HD21  LEU  30          HD21      LEU  30   3.610   2.649   5.218
  233   HD22  LEU  30          HD22      LEU  30   4.345   1.173   5.842
  234   HD23  LEU  30          HD23      LEU  30   3.408   2.213   6.915
  235    H    GLN  31           HN       GLN  31  -0.532  -0.998   5.290
  236    HA   GLN  31           HA       GLN  31   0.554  -3.571   5.672
  237    HB2  GLN  31           HB2      GLN  31  -2.203  -2.460   6.135
  238    HB3  GLN  31           HB1      GLN  31  -1.828  -4.136   6.472
  239    HG2  GLN  31           HG2      GLN  31  -0.441  -1.768   7.695
  240    HG3  GLN  31           HG1      GLN  31  -1.733  -2.689   8.458
  241   HE21  GLN  31          HE21      GLN  31  -0.742  -5.277   7.518
  242   HE22  GLN  31          HE22      GLN  31   0.673  -5.616   8.439
  243    H    ALA  32           HN       ALA  32  -1.713  -2.248   3.423
  244    HA   ALA  32           HA       ALA  32  -2.530  -4.766   2.288
  245    HB1  ALA  32           HB1      ALA  32  -3.979  -2.785   2.154
  246    HB2  ALA  32           HB2      ALA  32  -3.592  -3.407   0.551
  247    HB3  ALA  32           HB3      ALA  32  -2.774  -1.968   1.156
  248    H    LEU  33           HN       LEU  33  -0.098  -2.324   1.697
  249    HA   LEU  33           HA       LEU  33   0.876  -3.552  -0.696
  250    HB2  LEU  33           HB2      LEU  33   1.806  -1.349   1.073
  251    HB3  LEU  33           HB1      LEU  33   2.937  -2.062  -0.048
  252    HG   LEU  33           HG       LEU  33   0.870  -1.557  -1.713
  253   HD11  LEU  33          HD11      LEU  33   0.128   0.771  -1.242
  254   HD12  LEU  33          HD12      LEU  33   0.780   0.591   0.386
  255   HD13  LEU  33          HD13      LEU  33  -0.542  -0.446  -0.152
  256   HD21  LEU  33          HD21      LEU  33   3.186  -0.977  -2.072
  257   HD22  LEU  33          HD22      LEU  33   3.055   0.335  -0.900
  258   HD23  LEU  33          HD23      LEU  33   2.144   0.404  -2.409
  259    H    ILE  34           HN       ILE  34   1.385  -4.059   2.716
  260    HA   ILE  34           HA       ILE  34   3.840  -5.484   2.485
  261    HB   ILE  34           HB       ILE  34   1.680  -5.885   4.570
  262   HG12  ILE  34          HG12      ILE  34   4.038  -4.001   4.516
  263   HG13  ILE  34          HG11      ILE  34   2.338  -3.586   4.655
  264   HG21  ILE  34          HG21      ILE  34   3.258  -7.725   4.475
  265   HG22  ILE  34          HG22      ILE  34   3.499  -6.791   5.949
  266   HG23  ILE  34          HG23      ILE  34   4.611  -6.602   4.593
  267   HD11  ILE  34          HD11      ILE  34   2.266  -4.648   6.856
  268   HD12  ILE  34          HD12      ILE  34   3.440  -3.334   6.783
  269   HD13  ILE  34          HD13      ILE  34   3.985  -5.011   6.722
  270    H    ALA  35           HN       ALA  35   0.433  -6.361   2.375
  271    HA   ALA  35           HA       ALA  35   0.880  -9.152   2.150
  272    HB1  ALA  35           HB1      ALA  35  -1.477  -9.295   1.642
  273    HB2  ALA  35           HB2      ALA  35  -1.547  -7.561   1.338
  274    HB3  ALA  35           HB3      ALA  35  -1.222  -8.157   2.963
  275    H    THR  36           HN       THR  36   0.636  -6.520  -0.178
  276    HA   THR  36           HA       THR  36   0.574  -8.411  -2.409
  277    HB   THR  36           HB       THR  36   0.224  -6.433  -3.819
  278    HG1  THR  36           HG1      THR  36  -0.217  -4.440  -2.413
  279   HG21  THR  36          HG21      THR  36  -1.553  -6.418  -1.380
  280   HG22  THR  36          HG22      THR  36  -1.713  -7.517  -2.750
  281   HG23  THR  36          HG23      THR  36  -1.963  -5.784  -2.974
  282    H    GLY  37           HN       GLY  37   2.789  -6.455  -0.680
  283    HA2  GLY  37           HA2      GLY  37   5.074  -6.258  -0.880
  284    HA3  GLY  37           HA1      GLY  37   5.010  -7.336  -2.267
  285    H    GLY  38           HN       GLY  38   3.139  -4.357  -2.047
  286    HA2  GLY  38           HA2      GLY  38   3.754  -2.222  -2.852
  287    HA3  GLY  38           HA1      GLY  38   5.134  -2.954  -3.677
  288    H    ASP  39           HN       ASP  39   2.362  -4.772  -4.020
  289    HA   ASP  39           HA       ASP  39   1.949  -3.785  -6.737
  290    HB2  ASP  39           HB2      ASP  39   1.963  -6.270  -6.307
  291    HB3  ASP  39           HB1      ASP  39   0.496  -6.058  -5.356
  292    H    ILE  40           HN       ILE  40   1.032  -1.845  -6.434
  293    HA   ILE  40           HA       ILE  40  -0.649  -1.412  -4.208
  294    HB   ILE  40           HB       ILE  40   0.950   0.213  -5.484
  295   HG12  ILE  40          HG12      ILE  40  -1.559   0.697  -3.944
  296   HG13  ILE  40          HG11      ILE  40   0.113   0.875  -3.445
  297   HG21  ILE  40          HG21      ILE  40  -0.296   1.829  -6.875
  298   HG22  ILE  40          HG22      ILE  40  -1.713   0.782  -6.799
  299   HG23  ILE  40          HG23      ILE  40  -0.246   0.223  -7.604
  300   HD11  ILE  40          HD11      ILE  40  -1.366   2.721  -5.302
  301   HD12  ILE  40          HD12      ILE  40   0.310   2.892  -4.788
  302   HD13  ILE  40          HD13      ILE  40  -0.990   3.029  -3.607
  303    H    ASN  41           HN       ASN  41  -1.288  -2.330  -7.468
  304    HA   ASN  41           HA       ASN  41  -3.950  -1.419  -7.695
  305    HB2  ASN  41           HB2      ASN  41  -2.895  -4.000  -8.872
  306    HB3  ASN  41           HB1      ASN  41  -4.211  -3.005  -9.478
  307   HD21  ASN  41          HD21      ASN  41  -0.820  -3.517  -9.381
  308   HD22  ASN  41          HD22      ASN  41  -0.378  -2.263 -10.491
  309    H    ALA  42           HN       ALA  42  -2.549  -4.513  -6.703
  310    HA   ALA  42           HA       ALA  42  -4.969  -5.657  -5.816
  311    HB1  ALA  42           HB1      ALA  42  -3.571  -7.327  -4.732
  312    HB2  ALA  42           HB2      ALA  42  -2.150  -6.309  -4.968
  313    HB3  ALA  42           HB3      ALA  42  -2.986  -6.990  -6.366
  314    H    ALA  43           HN       ALA  43  -2.511  -3.671  -4.273
  315    HA   ALA  43           HA       ALA  43  -3.355  -3.829  -1.623
  316    HB1  ALA  43           HB1      ALA  43  -2.256  -1.685  -1.297
  317    HB2  ALA  43           HB2      ALA  43  -2.210  -1.430  -3.040
  318    HB3  ALA  43           HB3      ALA  43  -1.277  -2.740  -2.321
  319    H    ILE  44           HN       ILE  44  -4.423  -1.544  -4.173
  320    HA   ILE  44           HA       ILE  44  -6.206  -0.102  -2.528
  321    HB   ILE  44           HB       ILE  44  -6.727  -0.501  -5.472
  322   HG12  ILE  44          HG12      ILE  44  -4.871   1.612  -4.407
  323   HG13  ILE  44          HG11      ILE  44  -4.266   0.038  -4.921
  324   HG21  ILE  44          HG21      ILE  44  -7.076   1.845  -3.608
  325   HG22  ILE  44          HG22      ILE  44  -8.357   0.751  -4.137
  326   HG23  ILE  44          HG23      ILE  44  -7.549   1.793  -5.309
  327   HD11  ILE  44          HD11      ILE  44  -5.834   1.944  -6.642
  328   HD12  ILE  44          HD12      ILE  44  -5.142   0.399  -7.146
  329   HD13  ILE  44          HD13      ILE  44  -4.083   1.731  -6.677
  330    H    GLU  45           HN       GLU  45  -6.691  -2.898  -4.681
  331    HA   GLU  45           HA       GLU  45  -9.493  -2.993  -4.203
  332    HB2  GLU  45           HB2      GLU  45  -9.542  -4.953  -5.485
  333    HB3  GLU  45           HB1      GLU  45  -8.236  -4.002  -6.175
  334    HG2  GLU  45           HG2      GLU  45  -6.623  -5.349  -4.923
  335    HG3  GLU  45           HG1      GLU  45  -7.950  -6.327  -4.300
  336    H    ARG  46           HN       ARG  46  -6.756  -4.109  -2.408
  337    HA   ARG  46           HA       ARG  46  -8.294  -5.913  -0.774
  338    HB2  ARG  46           HB2      ARG  46  -5.584  -4.657  -0.397
  339    HB3  ARG  46           HB1      ARG  46  -6.327  -5.670   0.827
  340    HG2  ARG  46           HG2      ARG  46  -6.439  -7.493  -0.886
  341    HG3  ARG  46           HG1      ARG  46  -5.464  -6.462  -1.938
  342    HD2  ARG  46           HD2      ARG  46  -3.780  -6.330  -0.100
  343    HD3  ARG  46           HD1      ARG  46  -4.712  -7.537   0.771
  344    HE   ARG  46           HE       ARG  46  -3.506  -8.044  -1.881
  345   HH11  ARG  46          HH11      ARG  46  -4.407  -9.260   1.290
  346   HH12  ARG  46          HH12      ARG  46  -3.385 -10.649   1.168
  347   HH21  ARG  46          HH21      ARG  46  -2.123  -9.872  -1.992
  348   HH22  ARG  46          HH22      ARG  46  -2.090 -10.985  -0.651
  349    H    LEU  47           HN       LEU  47  -7.346  -2.531  -0.667
  350    HA   LEU  47           HA       LEU  47  -8.220  -1.965   1.957
  351    HB2  LEU  47           HB2      LEU  47  -8.002  -0.180  -0.475
  352    HB3  LEU  47           HB1      LEU  47  -8.323   0.402   1.148
  353    HG   LEU  47           HG       LEU  47  -5.825  -1.086   0.338
  354   HD11  LEU  47          HD11      LEU  47  -4.720   1.068   0.418
  355   HD12  LEU  47          HD12      LEU  47  -6.251   1.857   0.783
  356   HD13  LEU  47          HD13      LEU  47  -6.014   1.082  -0.782
  357   HD21  LEU  47          HD21      LEU  47  -6.543   0.427   2.848
  358   HD22  LEU  47          HD22      LEU  47  -4.963  -0.269   2.486
  359   HD23  LEU  47          HD23      LEU  47  -6.365  -1.321   2.701
  360    H    LEU  48           HN       LEU  48  -9.836  -1.543  -1.191
  361    HA   LEU  48           HA       LEU  48 -12.313  -0.801   0.067
  362    HB2  LEU  48           HB2      LEU  48 -11.559  -1.437  -2.776
  363    HB3  LEU  48           HB1      LEU  48 -13.225  -1.167  -2.306
  364    HG   LEU  48           HG       LEU  48 -12.516   0.879  -3.176
  365   HD11  LEU  48          HD11      LEU  48 -12.632   2.400  -1.328
  366   HD12  LEU  48          HD12      LEU  48 -12.088   1.151  -0.212
  367   HD13  LEU  48          HD13      LEU  48 -13.666   1.010  -0.988
  368   HD21  LEU  48          HD21      LEU  48 -10.132   0.431  -3.288
  369   HD22  LEU  48          HD22      LEU  48 -10.000   0.618  -1.539
  370   HD23  LEU  48          HD23      LEU  48 -10.430   2.002  -2.544
  371    H    GLY  49           HN       GLY  49 -10.920  -3.703  -1.296
  372    HA2  GLY  49           HA2      GLY  49 -13.406  -5.149  -1.352
  373    HA3  GLY  49           HA1      GLY  49 -11.802  -5.809  -1.609
  374    H    SER  50           HN       SER  50 -10.516  -5.373   0.704
  375    HA   SER  50           HA       SER  50 -12.173  -6.756   2.712
  376    HB2  SER  50           HB2      SER  50  -9.191  -7.110   2.380
  377    HB3  SER  50           HB1      SER  50 -10.281  -8.054   3.389
  378    HG   SER  50           HG       SER  50 -11.252  -8.860   1.503
  379    H    GLN  51           HN       GLN  51 -12.556  -4.373   3.169
  380    HA   GLN  51           HA       GLN  51 -10.490  -3.128   4.735
  381    HB2  GLN  51           HB2      GLN  51 -12.378  -1.565   5.389
  382    HB3  GLN  51           HB1      GLN  51 -11.972  -1.611   3.679
  383    HG2  GLN  51           HG2      GLN  51 -13.876  -3.224   3.382
  384    HG3  GLN  51           HG1      GLN  51 -14.333  -2.872   5.047
  385   HE21  GLN  51          HE21      GLN  51 -14.112  -1.626   1.815
  386   HE22  GLN  51          HE22      GLN  51 -15.081  -0.218   2.075
  387    H    LEU  52           HN       LEU  52  -9.952  -4.681   6.204
  388    HA   LEU  52           HA       LEU  52 -12.107  -5.714   7.901
  389    HB2  LEU  52           HB2      LEU  52  -9.672  -6.878   6.733
  390    HB3  LEU  52           HB1      LEU  52  -9.958  -7.326   8.391
  391    HG   LEU  52           HG       LEU  52 -10.865  -8.993   6.876
  392   HD11  LEU  52          HD11      LEU  52 -13.104  -9.145   7.790
  393   HD12  LEU  52          HD12      LEU  52 -13.048  -7.450   8.266
  394   HD13  LEU  52          HD13      LEU  52 -11.968  -8.614   9.032
  395   HD21  LEU  52          HD21      LEU  52 -12.764  -8.484   5.429
  396   HD22  LEU  52          HD22      LEU  52 -11.341  -7.551   4.960
  397   HD23  LEU  52          HD23      LEU  52 -12.647  -6.781   5.864
  398    H    SER  53           HN       SER  53 -12.130  -3.896   9.226
  399    HA   SER  53           HA       SER  53 -10.194  -4.056  11.381
  400    HB2  SER  53           HB2      SER  53 -10.819  -1.445   9.969
  401    HB3  SER  53           HB1      SER  53  -9.854  -1.613  11.436
  402    HG   SER  53           HG       SER  53  -8.968  -3.247   9.444
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  22.200   1.639  -2.372
    2    H2   GLY   1           HT2      GLY   1  21.662   0.257  -3.195
    3    H3   GLY   1           HT3      GLY   1  22.946   0.144  -2.098
    4    HA2  GLY   1           HA1      GLY   1  21.478   0.725  -0.273
    5    HA3  GLY   1           HA2      GLY   1  20.147   0.839  -1.415
    6    HA   PRO   2           HA       PRO   2  20.750  -3.585   0.273
    7    HB2  PRO   2           HB2      PRO   2  18.208  -3.109   1.669
    8    HB3  PRO   2           HB1      PRO   2  19.718  -3.781   2.290
    9    HG2  PRO   2           HG2      PRO   2  18.864  -1.332   2.996
   10    HG3  PRO   2           HG1      PRO   2  20.588  -1.700   2.798
   11    HD2  PRO   2           HD2      PRO   2  18.717  -0.300   0.917
   12    HD3  PRO   2           HD1      PRO   2  20.397   0.101   1.337
   13    H    LEU   3           HN       LEU   3  20.217  -4.669  -1.533
   14    HA   LEU   3           HA       LEU   3  17.949  -4.239  -3.076
   15    HB2  LEU   3           HB2      LEU   3  18.534  -6.277  -4.224
   16    HB3  LEU   3           HB1      LEU   3  19.948  -5.298  -3.928
   17    HG   LEU   3           HG       LEU   3  20.809  -7.334  -3.508
   18   HD11  LEU   3          HD11      LEU   3  19.682  -6.675  -0.822
   19   HD12  LEU   3          HD12      LEU   3  21.288  -6.302  -1.457
   20   HD13  LEU   3          HD13      LEU   3  20.839  -7.970  -1.108
   21   HD21  LEU   3          HD21      LEU   3  18.145  -8.262  -2.478
   22   HD22  LEU   3          HD22      LEU   3  19.591  -9.269  -2.560
   23   HD23  LEU   3          HD23      LEU   3  18.873  -8.638  -4.043
   24    H    GLY   4           HN       GLY   4  15.962  -4.404  -2.405
   25    HA2  GLY   4           HA2      GLY   4  14.040  -5.695  -2.049
   26    HA3  GLY   4           HA1      GLY   4  15.041  -6.990  -1.417
   27    H    SER   5           HN       SER   5  16.479  -5.239   0.408
   28    HA   SER   5           HA       SER   5  14.517  -5.280   2.540
   29    HB2  SER   5           HB2      SER   5  17.489  -4.705   2.598
   30    HB3  SER   5           HB1      SER   5  16.451  -4.831   4.022
   31    HG   SER   5           HG       SER   5  15.935  -6.991   3.257
   32    H    MET   6           HN       MET   6  13.703  -3.428   0.869
   33    HA   MET   6           HA       MET   6  13.920  -1.019   2.448
   34    HB2  MET   6           HB2      MET   6  14.349   0.387   0.438
   35    HB3  MET   6           HB1      MET   6  15.697  -0.665   0.842
   36    HG2  MET   6           HG2      MET   6  14.848  -2.253  -0.909
   37    HG3  MET   6           HG1      MET   6  13.715  -0.994  -1.394
   38    HE1  MET   6           HE1      MET   6  16.365   1.893  -2.193
   39    HE2  MET   6           HE2      MET   6  15.673   1.483  -0.620
   40    HE3  MET   6           HE3      MET   6  14.642   1.542  -2.050
   41    HA   PRO   7           HA       PRO   7   9.915  -2.569   0.485
   42    HB2  PRO   7           HB2      PRO   7   8.865  -2.630   3.228
   43    HB3  PRO   7           HB1      PRO   7   8.911  -3.913   2.016
   44    HG2  PRO   7           HG2      PRO   7  10.476  -4.004   4.181
   45    HG3  PRO   7           HG1      PRO   7  11.039  -4.581   2.598
   46    HD2  PRO   7           HD2      PRO   7  11.565  -1.936   3.935
   47    HD3  PRO   7           HD1      PRO   7  12.722  -3.034   3.143
   48    H    GLU   8           HN       GLU   8  10.220  -0.337   3.233
   49    HA   GLU   8           HA       GLU   8   7.744   0.978   2.696
   50    HB2  GLU   8           HB2      GLU   8   8.800   0.892   4.939
   51    HB3  GLU   8           HB1      GLU   8  10.091   1.926   4.349
   52    HG2  GLU   8           HG2      GLU   8   8.478   3.719   3.954
   53    HG3  GLU   8           HG1      GLU   8   7.168   2.687   4.547
   54    H    VAL   9           HN       VAL   9  10.941   1.239   1.486
   55    HA   VAL   9           HA       VAL   9  10.841   3.857   0.430
   56    HB   VAL   9           HB       VAL   9  12.339   1.409  -0.525
   57   HG11  VAL   9          HG11      VAL   9  12.758   4.285  -1.326
   58   HG12  VAL   9          HG12      VAL   9  12.071   3.023  -2.348
   59   HG13  VAL   9          HG13      VAL   9  13.748   2.908  -1.814
   60   HG21  VAL   9          HG21      VAL   9  14.262   2.479   0.572
   61   HG22  VAL   9          HG22      VAL   9  12.960   2.122   1.709
   62   HG23  VAL   9          HG23      VAL   9  13.202   3.773   1.137
   63    H    ARG  10           HN       ARG  10   9.584   0.770  -0.638
   64    HA   ARG  10           HA       ARG  10   8.687   1.863  -3.192
   65    HB2  ARG  10           HB2      ARG  10   8.134  -0.881  -2.020
   66    HB3  ARG  10           HB1      ARG  10   7.897  -0.374  -3.686
   67    HG2  ARG  10           HG2      ARG  10  10.555  -0.600  -2.293
   68    HG3  ARG  10           HG1      ARG  10   9.878  -1.770  -3.427
   69    HD2  ARG  10           HD2      ARG  10   9.866  -0.018  -5.168
   70    HD3  ARG  10           HD1      ARG  10  10.619   1.094  -4.023
   71    HE   ARG  10           HE       ARG  10  12.034  -1.397  -4.445
   72   HH11  ARG  10          HH11      ARG  10  11.672   1.942  -5.495
   73   HH12  ARG  10          HH12      ARG  10  13.290   2.031  -6.148
   74   HH21  ARG  10          HH21      ARG  10  14.125  -1.270  -5.305
   75   HH22  ARG  10          HH22      ARG  10  14.673   0.202  -6.046
   76    H    PHE  11           HN       PHE  11   7.521   0.740  -0.098
   77    HA   PHE  11           HA       PHE  11   4.767   0.828  -0.594
   78    HB2  PHE  11           HB2      PHE  11   6.336   1.141   1.976
   79    HB3  PHE  11           HB1      PHE  11   4.573   1.106   1.922
   80    HD1  PHE  11           HD2      PHE  11   5.797  -1.012  -0.592
   81    HD2  PHE  11           HD1      PHE  11   5.230  -0.827   3.625
   82    HE1  PHE  11           HE2      PHE  11   5.844  -3.466  -0.476
   83    HE2  PHE  11           HE1      PHE  11   5.285  -3.278   3.743
   84    HZ   PHE  11           HZ       PHE  11   5.561  -4.596   1.735
   85    H    GLN  12           HN       GLN  12   6.947   3.276   0.830
   86    HA   GLN  12           HA       GLN  12   5.006   5.191   1.377
   87    HB2  GLN  12           HB2      GLN  12   7.358   5.330   2.154
   88    HB3  GLN  12           HB1      GLN  12   7.845   5.731   0.508
   89    HG2  GLN  12           HG2      GLN  12   6.320   7.706   0.630
   90    HG3  GLN  12           HG1      GLN  12   6.090   7.348   2.339
   91   HE21  GLN  12          HE21      GLN  12   7.216   9.702   1.078
   92   HE22  GLN  12          HE22      GLN  12   8.824   9.870   1.693
   93    H    GLN  13           HN       GLN  13   6.744   4.574  -1.650
   94    HA   GLN  13           HA       GLN  13   5.854   6.899  -2.984
   95    HB2  GLN  13           HB2      GLN  13   6.699   4.217  -4.106
   96    HB3  GLN  13           HB1      GLN  13   6.415   5.660  -5.075
   97    HG2  GLN  13           HG2      GLN  13   8.553   5.206  -3.021
   98    HG3  GLN  13           HG1      GLN  13   8.740   5.544  -4.744
   99   HE21  GLN  13          HE21      GLN  13   7.916   6.870  -1.642
  100   HE22  GLN  13          HE22      GLN  13   8.015   8.530  -2.080
  101    H    GLN  14           HN       GLN  14   4.631   3.599  -2.842
  102    HA   GLN  14           HA       GLN  14   2.270   4.254  -4.315
  103    HB2  GLN  14           HB2      GLN  14   3.160   1.890  -2.727
  104    HB3  GLN  14           HB1      GLN  14   1.467   2.047  -3.156
  105    HG2  GLN  14           HG2      GLN  14   2.358   0.749  -4.850
  106    HG3  GLN  14           HG1      GLN  14   2.284   2.362  -5.550
  107   HE21  GLN  14          HE21      GLN  14   4.302  -0.162  -4.385
  108   HE22  GLN  14          HE22      GLN  14   5.800   0.474  -4.963
  109    H    LEU  15           HN       LEU  15   3.237   4.754  -1.061
  110    HA   LEU  15           HA       LEU  15   0.562   4.687   0.021
  111    HB2  LEU  15           HB2      LEU  15   3.135   5.728   1.215
  112    HB3  LEU  15           HB1      LEU  15   1.593   5.722   2.052
  113    HG   LEU  15           HG       LEU  15   3.315   3.389   1.276
  114   HD11  LEU  15          HD11      LEU  15   2.903   2.753   3.618
  115   HD12  LEU  15          HD12      LEU  15   1.975   4.236   3.835
  116   HD13  LEU  15          HD13      LEU  15   3.700   4.322   3.468
  117   HD21  LEU  15          HD21      LEU  15   1.076   2.889   0.461
  118   HD22  LEU  15          HD22      LEU  15   0.416   3.274   2.050
  119   HD23  LEU  15          HD23      LEU  15   1.494   1.893   1.855
  120    H    GLU  16           HN       GLU  16   2.832   7.141  -1.081
  121    HA   GLU  16           HA       GLU  16   1.105   9.350  -0.601
  122    HB2  GLU  16           HB2      GLU  16   3.227   9.142  -2.741
  123    HB3  GLU  16           HB1      GLU  16   2.593  10.608  -1.998
  124    HG2  GLU  16           HG2      GLU  16   3.559   9.930   0.142
  125    HG3  GLU  16           HG1      GLU  16   4.200   8.477  -0.622
  126    H    GLN  17           HN       GLN  17   1.458   7.003  -3.144
  127    HA   GLN  17           HA       GLN  17  -0.213   8.239  -5.054
  128    HB2  GLN  17           HB2      GLN  17   1.294   6.346  -5.537
  129    HB3  GLN  17           HB1      GLN  17   0.266   5.318  -4.544
  130    HG2  GLN  17           HG2      GLN  17  -1.494   5.383  -6.089
  131    HG3  GLN  17           HG1      GLN  17  -0.829   6.792  -6.915
  132   HE21  GLN  17          HE21      GLN  17   1.106   4.051  -5.968
  133   HE22  GLN  17          HE22      GLN  17   1.406   3.466  -7.564
  134    H    LEU  18           HN       LEU  18  -0.910   5.726  -2.584
  135    HA   LEU  18           HA       LEU  18  -3.717   5.713  -2.979
  136    HB2  LEU  18           HB2      LEU  18  -2.048   5.043  -0.562
  137    HB3  LEU  18           HB1      LEU  18  -3.777   4.841  -0.611
  138    HG   LEU  18           HG       LEU  18  -1.819   3.396  -2.379
  139   HD11  LEU  18          HD11      LEU  18  -2.458   1.480  -0.951
  140   HD12  LEU  18          HD12      LEU  18  -3.348   2.604   0.083
  141   HD13  LEU  18          HD13      LEU  18  -1.600   2.755  -0.083
  142   HD21  LEU  18          HD21      LEU  18  -3.691   2.047  -3.056
  143   HD22  LEU  18          HD22      LEU  18  -4.100   3.740  -3.351
  144   HD23  LEU  18          HD23      LEU  18  -4.765   2.902  -1.946
  145    H    ASN  19           HN       ASN  19  -1.523   7.530  -1.047
  146    HA   ASN  19           HA       ASN  19  -3.153   9.028   0.584
  147    HB2  ASN  19           HB2      ASN  19  -0.598   8.960   0.341
  148    HB3  ASN  19           HB1      ASN  19  -0.800  10.134  -0.944
  149   HD21  ASN  19          HD21      ASN  19  -1.398  12.229  -0.454
  150   HD22  ASN  19          HD22      ASN  19  -1.351  12.861   1.161
  151    H    SER  20           HN       SER  20  -2.506   9.293  -2.790
  152    HA   SER  20           HA       SER  20  -3.881  11.849  -3.076
  153    HB2  SER  20           HB2      SER  20  -1.819  11.364  -4.385
  154    HB3  SER  20           HB1      SER  20  -2.666  10.049  -5.198
  155    HG   SER  20           HG       SER  20  -3.863  11.460  -6.302
  156    H    MET  21           HN       MET  21  -4.647   8.615  -2.991
  157    HA   MET  21           HA       MET  21  -6.905   8.727  -4.831
  158    HB2  MET  21           HB2      MET  21  -5.916   6.503  -3.032
  159    HB3  MET  21           HB1      MET  21  -7.142   6.338  -4.275
  160    HG2  MET  21           HG2      MET  21  -4.699   7.451  -5.327
  161    HG3  MET  21           HG1      MET  21  -4.422   5.906  -4.530
  162    HE1  MET  21           HE1      MET  21  -6.901   3.577  -6.472
  163    HE2  MET  21           HE2      MET  21  -7.256   4.494  -5.007
  164    HE3  MET  21           HE3      MET  21  -5.700   3.679  -5.185
  165    H    GLY  22           HN       GLY  22  -6.251   9.621  -1.736
  166    HA2  GLY  22           HA2      GLY  22  -7.848  10.490  -0.229
  167    HA3  GLY  22           HA1      GLY  22  -9.069   9.454  -0.960
  168    H    PHE  23           HN       PHE  23  -6.104   7.943  -0.403
  169    HA   PHE  23           HA       PHE  23  -7.135   6.669   2.039
  170    HB2  PHE  23           HB2      PHE  23  -5.432   5.659  -0.215
  171    HB3  PHE  23           HB1      PHE  23  -5.455   4.833   1.339
  172    HD1  PHE  23           HD1      PHE  23  -7.721   4.053   2.215
  173    HD2  PHE  23           HD2      PHE  23  -7.062   5.274  -1.805
  174    HE1  PHE  23           HE1      PHE  23  -9.765   2.872   1.530
  175    HE2  PHE  23           HE2      PHE  23  -9.104   4.091  -2.501
  176    HZ   PHE  23           HZ       PHE  23 -10.458   2.891  -0.831
  177    H    ILE  24           HN       ILE  24  -6.211   7.514   3.745
  178    HA   ILE  24           HA       ILE  24  -3.358   8.203   3.654
  179    HB   ILE  24           HB       ILE  24  -4.028  10.081   5.349
  180   HG12  ILE  24          HG12      ILE  24  -6.492   9.282   5.195
  181   HG13  ILE  24          HG11      ILE  24  -6.160  11.011   5.206
  182   HG21  ILE  24          HG21      ILE  24  -4.451  10.344   2.382
  183   HG22  ILE  24          HG22      ILE  24  -2.924  10.499   3.254
  184   HG23  ILE  24          HG23      ILE  24  -4.205  11.686   3.501
  185   HD11  ILE  24          HD11      ILE  24  -6.449  11.105   2.803
  186   HD12  ILE  24          HD12      ILE  24  -7.868  10.375   3.555
  187   HD13  ILE  24          HD13      ILE  24  -6.676   9.357   2.738
  188    H    ASN  25           HN       ASN  25  -5.424   6.165   4.961
  189    HA   ASN  25           HA       ASN  25  -4.343   6.222   7.636
  190    HB2  ASN  25           HB2      ASN  25  -6.620   5.019   6.621
  191    HB3  ASN  25           HB1      ASN  25  -5.496   3.675   6.725
  192   HD21  ASN  25          HD21      ASN  25  -4.664   3.075   8.745
  193   HD22  ASN  25          HD22      ASN  25  -5.403   3.567  10.225
  194    H    ARG  26           HN       ARG  26  -2.176   6.230   7.158
  195    HA   ARG  26           HA       ARG  26  -0.720   4.815   5.350
  196    HB2  ARG  26           HB2      ARG  26  -0.181   5.579   8.178
  197    HB3  ARG  26           HB1      ARG  26   1.025   4.686   7.260
  198    HG2  ARG  26           HG2      ARG  26  -0.090   7.398   6.619
  199    HG3  ARG  26           HG1      ARG  26   1.522   7.031   7.231
  200    HD2  ARG  26           HD2      ARG  26   1.914   7.291   4.992
  201    HD3  ARG  26           HD1      ARG  26   1.708   5.549   5.095
  202    HE   ARG  26           HE       ARG  26  -0.324   5.759   3.965
  203   HH11  ARG  26          HH11      ARG  26   1.061   8.906   4.674
  204   HH12  ARG  26          HH12      ARG  26  -0.023   9.759   3.610
  205   HH21  ARG  26          HH21      ARG  26  -1.786   6.917   2.599
  206   HH22  ARG  26          HH22      ARG  26  -1.629   8.636   2.451
  207    H    GLU  27           HN       GLU  27  -1.653   3.736   8.558
  208    HA   GLU  27           HA       GLU  27  -0.672   1.210   8.719
  209    HB2  GLU  27           HB2      GLU  27  -3.529   1.874   9.417
  210    HB3  GLU  27           HB1      GLU  27  -2.510   0.642  10.150
  211    HG2  GLU  27           HG2      GLU  27  -1.067   2.385  11.067
  212    HG3  GLU  27           HG1      GLU  27  -2.091   3.619  10.334
  213    H    ALA  28           HN       ALA  28  -3.788   2.026   7.146
  214    HA   ALA  28           HA       ALA  28  -4.290  -0.664   6.374
  215    HB1  ALA  28           HB1      ALA  28  -6.122   0.885   6.762
  216    HB2  ALA  28           HB2      ALA  28  -6.170   0.278   5.107
  217    HB3  ALA  28           HB3      ALA  28  -5.561   1.900   5.434
  218    H    ASN  29           HN       ASN  29  -3.305   2.255   4.652
  219    HA   ASN  29           HA       ASN  29  -3.005   1.381   2.095
  220    HB2  ASN  29           HB2      ASN  29  -1.198   3.232   3.666
  221    HB3  ASN  29           HB1      ASN  29  -1.127   3.042   1.927
  222   HD21  ASN  29          HD21      ASN  29  -1.526   5.257   1.725
  223   HD22  ASN  29          HD22      ASN  29  -3.138   5.889   1.868
  224    H    LEU  30           HN       LEU  30  -0.312   1.373   4.479
  225    HA   LEU  30           HA       LEU  30   1.310  -0.059   2.604
  226    HB2  LEU  30           HB2      LEU  30   2.997  -0.139   4.483
  227    HB3  LEU  30           HB1      LEU  30   2.531   1.442   3.899
  228    HG   LEU  30           HG       LEU  30   0.966   1.577   5.903
  229   HD11  LEU  30          HD11      LEU  30   0.955  -0.803   6.496
  230   HD12  LEU  30          HD12      LEU  30   1.518   0.201   7.831
  231   HD13  LEU  30          HD13      LEU  30   2.677  -0.718   6.870
  232   HD21  LEU  30          HD21      LEU  30   2.760   2.292   7.383
  233   HD22  LEU  30          HD22      LEU  30   3.064   2.807   5.723
  234   HD23  LEU  30          HD23      LEU  30   3.937   1.429   6.394
  235    H    GLN  31           HN       GLN  31  -0.669  -1.025   5.344
  236    HA   GLN  31           HA       GLN  31   0.376  -3.611   5.706
  237    HB2  GLN  31           HB2      GLN  31  -2.308  -2.379   6.104
  238    HB3  GLN  31           HB1      GLN  31  -2.153  -4.120   6.215
  239    HG2  GLN  31           HG2      GLN  31  -0.590  -3.933   8.014
  240    HG3  GLN  31           HG1      GLN  31  -0.533  -2.178   7.830
  241   HE21  GLN  31          HE21      GLN  31  -3.477  -3.957   7.469
  242   HE22  GLN  31          HE22      GLN  31  -4.230  -3.410   8.916
  243    H    ALA  32           HN       ALA  32  -1.800  -2.236   3.405
  244    HA   ALA  32           HA       ALA  32  -2.556  -4.716   2.157
  245    HB1  ALA  32           HB1      ALA  32  -2.753  -1.884   1.134
  246    HB2  ALA  32           HB2      ALA  32  -4.003  -2.757   2.018
  247    HB3  ALA  32           HB3      ALA  32  -3.524  -3.294   0.407
  248    H    LEU  33           HN       LEU  33  -0.070  -2.312   1.790
  249    HA   LEU  33           HA       LEU  33   0.975  -3.465  -0.618
  250    HB2  LEU  33           HB2      LEU  33   1.818  -1.277   1.202
  251    HB3  LEU  33           HB1      LEU  33   3.002  -1.976   0.121
  252    HG   LEU  33           HG       LEU  33   0.992  -1.526  -1.607
  253   HD11  LEU  33          HD11      LEU  33   0.137   0.743  -1.205
  254   HD12  LEU  33          HD12      LEU  33   0.811   0.679   0.421
  255   HD13  LEU  33          HD13      LEU  33  -0.467  -0.440  -0.044
  256   HD21  LEU  33          HD21      LEU  33   2.263   0.403  -2.315
  257   HD22  LEU  33          HD22      LEU  33   3.332  -0.919  -1.841
  258   HD23  LEU  33          HD23      LEU  33   3.079   0.450  -0.754
  259    H    ILE  34           HN       ILE  34   1.340  -4.028   2.768
  260    HA   ILE  34           HA       ILE  34   3.808  -5.438   2.600
  261    HB   ILE  34           HB       ILE  34   1.567  -5.828   4.594
  262   HG12  ILE  34          HG12      ILE  34   3.961  -3.993   4.639
  263   HG13  ILE  34          HG11      ILE  34   2.267  -3.549   4.712
  264   HG21  ILE  34          HG21      ILE  34   3.058  -7.713   4.593
  265   HG22  ILE  34          HG22      ILE  34   3.350  -6.753   6.046
  266   HG23  ILE  34          HG23      ILE  34   4.461  -6.650   4.678
  267   HD11  ILE  34          HD11      ILE  34   3.362  -3.345   6.880
  268   HD12  ILE  34          HD12      ILE  34   3.742  -5.067   6.849
  269   HD13  ILE  34          HD13      ILE  34   2.062  -4.533   6.907
  270    H    ALA  35           HN       ALA  35   0.402  -6.344   2.465
  271    HA   ALA  35           HA       ALA  35   0.828  -9.106   2.085
  272    HB1  ALA  35           HB1      ALA  35  -1.285  -8.237   2.892
  273    HB2  ALA  35           HB2      ALA  35  -1.528  -9.161   1.411
  274    HB3  ALA  35           HB3      ALA  35  -1.547  -7.399   1.360
  275    H    THR  36           HN       THR  36   0.878  -6.383  -0.094
  276    HA   THR  36           HA       THR  36   0.817  -8.181  -2.415
  277    HB   THR  36           HB       THR  36   0.642  -6.094  -3.748
  278    HG1  THR  36           HG1      THR  36  -0.041  -4.545  -1.584
  279   HG21  THR  36          HG21      THR  36  -1.637  -5.518  -3.024
  280   HG22  THR  36          HG22      THR  36  -1.367  -6.416  -1.530
  281   HG23  THR  36          HG23      THR  36  -1.370  -7.260  -3.077
  282    H    GLY  37           HN       GLY  37   3.021  -6.331  -0.526
  283    HA2  GLY  37           HA2      GLY  37   5.309  -6.074  -0.698
  284    HA3  GLY  37           HA1      GLY  37   5.272  -7.128  -2.105
  285    H    GLY  38           HN       GLY  38   3.220  -4.291  -2.020
  286    HA2  GLY  38           HA2      GLY  38   3.736  -2.105  -2.803
  287    HA3  GLY  38           HA1      GLY  38   5.197  -2.752  -3.565
  288    H    ASP  39           HN       ASP  39   2.397  -4.612  -3.896
  289    HA   ASP  39           HA       ASP  39   2.041  -3.699  -6.653
  290    HB2  ASP  39           HB2      ASP  39   2.148  -6.165  -6.319
  291    HB3  ASP  39           HB1      ASP  39   0.740  -6.061  -5.259
  292    H    ILE  40           HN       ILE  40   1.044  -1.795  -6.346
  293    HA   ILE  40           HA       ILE  40  -0.654  -1.401  -4.132
  294    HB   ILE  40           HB       ILE  40   0.865   0.256  -5.424
  295   HG12  ILE  40          HG12      ILE  40  -1.687   0.663  -3.962
  296   HG13  ILE  40          HG11      ILE  40  -0.052   0.965  -3.446
  297   HG21  ILE  40          HG21      ILE  40  -1.786   0.700  -6.802
  298   HG22  ILE  40          HG22      ILE  40  -0.312   0.102  -7.563
  299   HG23  ILE  40          HG23      ILE  40  -0.369   1.744  -6.925
  300   HD11  ILE  40          HD11      ILE  40  -1.560   2.637  -5.434
  301   HD12  ILE  40          HD12      ILE  40   0.056   2.955  -4.804
  302   HD13  ILE  40          HD13      ILE  40  -1.340   3.025  -3.728
  303    H    ASN  41           HN       ASN  41  -1.177  -2.279  -7.423
  304    HA   ASN  41           HA       ASN  41  -3.861  -1.759  -7.834
  305    HB2  ASN  41           HB2      ASN  41  -2.480  -4.378  -8.492
  306    HB3  ASN  41           HB1      ASN  41  -3.895  -3.698  -9.288
  307   HD21  ASN  41          HD21      ASN  41  -1.101  -4.462 -10.131
  308   HD22  ASN  41          HD22      ASN  41  -0.546  -3.085 -11.020
  309    H    ALA  42           HN       ALA  42  -2.425  -4.686  -6.426
  310    HA   ALA  42           HA       ALA  42  -4.940  -5.696  -5.551
  311    HB1  ALA  42           HB1      ALA  42  -2.171  -6.550  -4.738
  312    HB2  ALA  42           HB2      ALA  42  -3.040  -7.125  -6.162
  313    HB3  ALA  42           HB3      ALA  42  -3.661  -7.475  -4.546
  314    H    ALA  43           HN       ALA  43  -2.489  -3.637  -4.098
  315    HA   ALA  43           HA       ALA  43  -3.378  -3.656  -1.462
  316    HB1  ALA  43           HB1      ALA  43  -2.460  -1.274  -3.067
  317    HB2  ALA  43           HB2      ALA  43  -1.420  -2.396  -2.191
  318    HB3  ALA  43           HB3      ALA  43  -2.546  -1.363  -1.308
  319    H    ILE  44           HN       ILE  44  -4.621  -1.693  -4.209
  320    HA   ILE  44           HA       ILE  44  -6.754  -0.592  -2.650
  321    HB   ILE  44           HB       ILE  44  -7.512  -0.682  -5.417
  322   HG12  ILE  44          HG12      ILE  44  -4.725   0.273  -4.806
  323   HG13  ILE  44          HG11      ILE  44  -5.182  -0.989  -5.938
  324   HG21  ILE  44          HG21      ILE  44  -7.426   1.777  -5.126
  325   HG22  ILE  44          HG22      ILE  44  -6.670   1.534  -3.551
  326   HG23  ILE  44          HG23      ILE  44  -8.309   0.952  -3.842
  327   HD11  ILE  44          HD11      ILE  44  -6.288   0.661  -7.344
  328   HD12  ILE  44          HD12      ILE  44  -4.582   1.044  -7.102
  329   HD13  ILE  44          HD13      ILE  44  -5.822   1.932  -6.216
  330    H    GLU  45           HN       GLU  45  -6.435  -3.415  -4.709
  331    HA   GLU  45           HA       GLU  45  -9.128  -4.211  -4.715
  332    HB2  GLU  45           HB2      GLU  45  -6.634  -5.923  -4.698
  333    HB3  GLU  45           HB1      GLU  45  -8.252  -6.508  -5.062
  334    HG2  GLU  45           HG2      GLU  45  -6.899  -4.335  -6.632
  335    HG3  GLU  45           HG1      GLU  45  -6.768  -6.044  -7.037
  336    H    ARG  46           HN       ARG  46  -6.734  -4.209  -2.239
  337    HA   ARG  46           HA       ARG  46  -8.331  -5.921  -0.503
  338    HB2  ARG  46           HB2      ARG  46  -5.670  -4.583  -0.199
  339    HB3  ARG  46           HB1      ARG  46  -6.528  -5.200   1.210
  340    HG2  ARG  46           HG2      ARG  46  -6.593  -7.425   0.188
  341    HG3  ARG  46           HG1      ARG  46  -5.700  -6.804  -1.200
  342    HD2  ARG  46           HD2      ARG  46  -3.774  -6.370   0.132
  343    HD3  ARG  46           HD1      ARG  46  -4.663  -6.683   1.623
  344    HE   ARG  46           HE       ARG  46  -4.359  -8.938   1.309
  345   HH11  ARG  46          HH11      ARG  46  -3.661  -7.302  -1.706
  346   HH12  ARG  46          HH12      ARG  46  -2.828  -8.664  -2.392
  347   HH21  ARG  46          HH21      ARG  46  -3.270 -10.711   0.407
  348   HH22  ARG  46          HH22      ARG  46  -2.623 -10.601  -1.207
  349    H    LEU  47           HN       LEU  47  -7.355  -2.510  -0.685
  350    HA   LEU  47           HA       LEU  47  -8.657  -1.684   1.663
  351    HB2  LEU  47           HB2      LEU  47  -8.023  -0.148  -0.850
  352    HB3  LEU  47           HB1      LEU  47  -8.594   0.586   0.638
  353    HG   LEU  47           HG       LEU  47  -6.049  -1.023   0.455
  354   HD11  LEU  47          HD11      LEU  47  -4.893   1.131   0.443
  355   HD12  LEU  47          HD12      LEU  47  -6.447   1.959   0.317
  356   HD13  LEU  47          HD13      LEU  47  -5.896   0.914  -0.996
  357   HD21  LEU  47          HD21      LEU  47  -5.533   0.099   2.566
  358   HD22  LEU  47          HD22      LEU  47  -7.011  -0.856   2.690
  359   HD23  LEU  47          HD23      LEU  47  -7.104   0.898   2.528
  360    H    LEU  48           HN       LEU  48  -9.817  -1.982  -1.641
  361    HA   LEU  48           HA       LEU  48 -12.457  -1.024  -0.859
  362    HB2  LEU  48           HB2      LEU  48 -11.015  -1.381  -3.417
  363    HB3  LEU  48           HB1      LEU  48 -12.739  -1.692  -3.465
  364    HG   LEU  48           HG       LEU  48 -12.279   0.589  -4.140
  365   HD11  LEU  48          HD11      LEU  48 -13.495   0.545  -1.390
  366   HD12  LEU  48          HD12      LEU  48 -14.326   0.079  -2.872
  367   HD13  LEU  48          HD13      LEU  48 -13.775   1.742  -2.655
  368   HD21  LEU  48          HD21      LEU  48 -10.178   0.946  -2.997
  369   HD22  LEU  48          HD22      LEU  48 -10.991   0.880  -1.434
  370   HD23  LEU  48          HD23      LEU  48 -11.328   2.205  -2.548
  371    H    GLY  49           HN       GLY  49 -10.790  -3.922  -1.864
  372    HA2  GLY  49           HA2      GLY  49 -13.282  -5.377  -2.267
  373    HA3  GLY  49           HA1      GLY  49 -11.658  -6.012  -2.477
  374    H    SER  50           HN       SER  50 -10.565  -5.471  -0.027
  375    HA   SER  50           HA       SER  50 -11.942  -7.483   1.572
  376    HB2  SER  50           HB2      SER  50  -9.152  -6.356   1.901
  377    HB3  SER  50           HB1      SER  50  -9.824  -7.765   2.719
  378    HG   SER  50           HG       SER  50 -10.156  -8.575   0.467
  379    H    GLN  51           HN       GLN  51 -13.562  -5.919   2.210
  380    HA   GLN  51           HA       GLN  51 -12.603  -3.955   4.155
  381    HB2  GLN  51           HB2      GLN  51 -14.913  -2.934   3.866
  382    HB3  GLN  51           HB1      GLN  51 -13.809  -2.772   2.510
  383    HG2  GLN  51           HG2      GLN  51 -14.935  -4.615   1.370
  384    HG3  GLN  51           HG1      GLN  51 -16.041  -4.782   2.734
  385   HE21  GLN  51          HE21      GLN  51 -15.090  -2.807   0.031
  386   HE22  GLN  51          HE22      GLN  51 -16.497  -1.806   0.006
  387    H    LEU  52           HN       LEU  52 -12.385  -5.420   5.785
  388    HA   LEU  52           HA       LEU  52 -14.784  -6.912   6.530
  389    HB2  LEU  52           HB2      LEU  52 -11.874  -7.352   7.156
  390    HB3  LEU  52           HB1      LEU  52 -13.158  -8.198   7.978
  391    HG   LEU  52           HG       LEU  52 -13.908  -9.006   5.673
  392   HD11  LEU  52          HD11      LEU  52 -12.173  -9.107   3.963
  393   HD12  LEU  52          HD12      LEU  52 -11.112  -8.126   4.974
  394   HD13  LEU  52          HD13      LEU  52 -12.604  -7.437   4.335
  395   HD21  LEU  52          HD21      LEU  52 -11.278  -9.909   6.831
  396   HD22  LEU  52          HD22      LEU  52 -12.269 -10.834   5.702
  397   HD23  LEU  52          HD23      LEU  52 -12.881 -10.458   7.312
  398    H    SER  53           HN       SER  53 -15.729  -5.056   7.426
  399    HA   SER  53           HA       SER  53 -15.135  -4.865  10.249
  400    HB2  SER  53           HB2      SER  53 -15.285  -2.384   8.506
  401    HB3  SER  53           HB1      SER  53 -15.188  -2.395  10.265
  402    HG   SER  53           HG       SER  53 -13.208  -3.898   9.305
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  22.350  -8.339  -2.891
    2    H2   GLY   1           HT2      GLY   1  23.472  -7.081  -3.077
    3    H3   GLY   1           HT3      GLY   1  23.690  -8.541  -3.909
    4    HA2  GLY   1           HA1      GLY   1  22.862  -6.851  -5.409
    5    HA3  GLY   1           HA2      GLY   1  21.689  -8.143  -5.195
    6    HA   PRO   2           HA       PRO   2  19.048  -4.619  -4.265
    7    HB2  PRO   2           HB2      PRO   2  16.831  -6.469  -4.444
    8    HB3  PRO   2           HB1      PRO   2  17.259  -5.162  -5.549
    9    HG2  PRO   2           HG2      PRO   2  17.418  -7.815  -6.195
   10    HG3  PRO   2           HG1      PRO   2  18.416  -6.557  -6.945
   11    HD2  PRO   2           HD2      PRO   2  19.115  -8.487  -4.768
   12    HD3  PRO   2           HD1      PRO   2  20.095  -7.928  -6.142
   13    H    LEU   3           HN       LEU   3  17.951  -4.009  -2.399
   14    HA   LEU   3           HA       LEU   3  17.806  -6.076  -0.324
   15    HB2  LEU   3           HB2      LEU   3  18.441  -4.470   1.376
   16    HB3  LEU   3           HB1      LEU   3  19.702  -4.647   0.176
   17    HG   LEU   3           HG       LEU   3  17.782  -2.352  -0.046
   18   HD11  LEU   3          HD11      LEU   3  19.284  -1.017   1.362
   19   HD12  LEU   3          HD12      LEU   3  20.196  -2.474   1.761
   20   HD13  LEU   3          HD13      LEU   3  18.516  -2.317   2.274
   21   HD21  LEU   3          HD21      LEU   3  19.748  -1.262  -1.017
   22   HD22  LEU   3          HD22      LEU   3  19.368  -2.761  -1.861
   23   HD23  LEU   3          HD23      LEU   3  20.704  -2.711  -0.713
   24    H    GLY   4           HN       GLY   4  15.816  -6.484   0.121
   25    HA2  GLY   4           HA2      GLY   4  13.712  -4.548  -0.294
   26    HA3  GLY   4           HA1      GLY   4  13.524  -6.200   0.275
   27    H    SER   5           HN       SER   5  15.915  -4.789   2.068
   28    HA   SER   5           HA       SER   5  14.157  -4.436   4.342
   29    HB2  SER   5           HB2      SER   5  17.134  -3.950   4.264
   30    HB3  SER   5           HB1      SER   5  16.132  -4.402   5.645
   31    HG   SER   5           HG       SER   5  16.526  -6.400   5.156
   32    H    MET   6           HN       MET   6  13.619  -2.681   2.388
   33    HA   MET   6           HA       MET   6  13.980  -0.165   3.805
   34    HB2  MET   6           HB2      MET   6  14.286  -0.385   0.793
   35    HB3  MET   6           HB1      MET   6  14.358   1.084   1.741
   36    HG2  MET   6           HG2      MET   6  16.419   0.295   2.801
   37    HG3  MET   6           HG1      MET   6  16.353  -1.165   1.816
   38    HE1  MET   6           HE1      MET   6  16.176  -0.923  -0.967
   39    HE2  MET   6           HE2      MET   6  16.432   0.617  -1.783
   40    HE3  MET   6           HE3      MET   6  15.013   0.383  -0.756
   41    HA   PRO   7           HA       PRO   7   9.915  -2.128   2.363
   42    HB2  PRO   7           HB2      PRO   7   8.998  -1.003   4.970
   43    HB3  PRO   7           HB1      PRO   7   8.694  -2.596   4.266
   44    HG2  PRO   7           HG2      PRO   7  10.446  -2.367   6.234
   45    HG3  PRO   7           HG1      PRO   7  10.821  -3.389   4.829
   46    HD2  PRO   7           HD2      PRO   7  11.757  -0.609   5.448
   47    HD3  PRO   7           HD1      PRO   7  12.694  -2.003   4.860
   48    H    GLU   8           HN       GLU   8  10.362   1.065   3.836
   49    HA   GLU   8           HA       GLU   8   7.838   1.958   2.764
   50    HB2  GLU   8           HB2      GLU   8   9.222   2.667   5.001
   51    HB3  GLU   8           HB1      GLU   8   9.622   4.000   3.920
   52    HG2  GLU   8           HG2      GLU   8   7.294   4.482   3.572
   53    HG3  GLU   8           HG1      GLU   8   6.819   3.069   4.508
   54    H    VAL   9           HN       VAL   9  10.979   1.721   1.576
   55    HA   VAL   9           HA       VAL   9  10.961   4.000  -0.140
   56    HB   VAL   9           HB       VAL   9  12.439   1.370  -0.410
   57   HG11  VAL   9          HG11      VAL   9  12.813   3.943  -1.945
   58   HG12  VAL   9          HG12      VAL   9  12.218   2.415  -2.599
   59   HG13  VAL   9          HG13      VAL   9  13.880   2.539  -2.020
   60   HG21  VAL   9          HG21      VAL   9  13.331   4.083   0.546
   61   HG22  VAL   9          HG22      VAL   9  14.361   2.662   0.376
   62   HG23  VAL   9          HG23      VAL   9  13.051   2.667   1.556
   63    H    ARG  10           HN       ARG  10   9.601   0.794  -0.281
   64    HA   ARG  10           HA       ARG  10   8.549   1.259  -2.961
   65    HB2  ARG  10           HB2      ARG  10   7.969  -1.107  -1.152
   66    HB3  ARG  10           HB1      ARG  10   7.723  -0.997  -2.887
   67    HG2  ARG  10           HG2      ARG  10  10.406  -0.972  -1.525
   68    HG3  ARG  10           HG1      ARG  10   9.657  -2.382  -2.274
   69    HD2  ARG  10           HD2      ARG  10  10.407   0.182  -3.674
   70    HD3  ARG  10           HD1      ARG  10  11.292  -1.339  -3.762
   71    HE   ARG  10           HE       ARG  10   9.112  -2.243  -4.740
   72   HH11  ARG  10          HH11      ARG  10  10.296   1.019  -5.184
   73   HH12  ARG  10          HH12      ARG  10   9.412   1.284  -6.652
   74   HH21  ARG  10          HH21      ARG  10   7.952  -1.909  -6.703
   75   HH22  ARG  10          HH22      ARG  10   8.115  -0.385  -7.537
   76    H    PHE  11           HN       PHE  11   7.480   0.708   0.360
   77    HA   PHE  11           HA       PHE  11   4.736   0.822  -0.160
   78    HB2  PHE  11           HB2      PHE  11   6.255   1.284   2.411
   79    HB3  PHE  11           HB1      PHE  11   4.495   1.206   2.312
   80    HD1  PHE  11           HD2      PHE  11   5.280  -1.011  -0.088
   81    HD2  PHE  11           HD1      PHE  11   5.690  -0.604   4.126
   82    HE1  PHE  11           HE2      PHE  11   5.385  -3.450   0.139
   83    HE2  PHE  11           HE1      PHE  11   5.796  -3.043   4.356
   84    HZ   PHE  11           HZ       PHE  11   5.598  -4.473   2.368
   85    H    GLN  12           HN       GLN  12   6.871   3.387   1.173
   86    HA   GLN  12           HA       GLN  12   4.834   5.228   1.672
   87    HB2  GLN  12           HB2      GLN  12   7.140   5.422   2.546
   88    HB3  GLN  12           HB1      GLN  12   7.699   5.841   0.934
   89    HG2  GLN  12           HG2      GLN  12   6.136   7.802   1.015
   90    HG3  GLN  12           HG1      GLN  12   5.876   7.429   2.718
   91   HE21  GLN  12          HE21      GLN  12   6.781   9.339   3.436
   92   HE22  GLN  12          HE22      GLN  12   8.474   9.661   3.348
   93    H    GLN  13           HN       GLN  13   6.801   4.779  -1.250
   94    HA   GLN  13           HA       GLN  13   5.835   7.013  -2.657
   95    HB2  GLN  13           HB2      GLN  13   6.946   4.371  -3.584
   96    HB3  GLN  13           HB1      GLN  13   6.472   5.642  -4.706
   97    HG2  GLN  13           HG2      GLN  13   8.597   5.784  -2.584
   98    HG3  GLN  13           HG1      GLN  13   8.816   5.829  -4.329
   99   HE21  GLN  13          HE21      GLN  13   7.737   7.568  -1.554
  100   HE22  GLN  13          HE22      GLN  13   7.682   9.107  -2.306
  101    H    GLN  14           HN       GLN  14   4.761   3.678  -2.546
  102    HA   GLN  14           HA       GLN  14   2.475   4.167  -4.193
  103    HB2  GLN  14           HB2      GLN  14   3.451   1.890  -2.568
  104    HB3  GLN  14           HB1      GLN  14   1.749   1.924  -2.980
  105    HG2  GLN  14           HG2      GLN  14   2.679   0.671  -4.675
  106    HG3  GLN  14           HG1      GLN  14   2.544   2.273  -5.394
  107   HE21  GLN  14          HE21      GLN  14   4.650  -0.195  -4.266
  108   HE22  GLN  14          HE22      GLN  14   6.109   0.471  -4.883
  109    H    LEU  15           HN       LEU  15   3.147   4.637  -0.855
  110    HA   LEU  15           HA       LEU  15   0.443   4.597   0.053
  111    HB2  LEU  15           HB2      LEU  15   2.850   5.917   1.311
  112    HB3  LEU  15           HB1      LEU  15   1.285   5.725   2.075
  113    HG   LEU  15           HG       LEU  15   3.366   3.660   1.497
  114   HD11  LEU  15          HD11      LEU  15   3.461   4.657   3.657
  115   HD12  LEU  15          HD12      LEU  15   2.797   3.026   3.836
  116   HD13  LEU  15          HD13      LEU  15   1.727   4.429   3.893
  117   HD21  LEU  15          HD21      LEU  15   1.246   2.845   0.531
  118   HD22  LEU  15          HD22      LEU  15   0.490   3.056   2.113
  119   HD23  LEU  15          HD23      LEU  15   1.800   1.896   1.912
  120    H    GLU  16           HN       GLU  16   2.677   7.098  -1.058
  121    HA   GLU  16           HA       GLU  16   0.847   9.254  -0.715
  122    HB2  GLU  16           HB2      GLU  16   3.059   9.075  -2.762
  123    HB3  GLU  16           HB1      GLU  16   2.320  10.535  -2.119
  124    HG2  GLU  16           HG2      GLU  16   3.219   9.921   0.118
  125    HG3  GLU  16           HG1      GLU  16   4.079   8.591  -0.658
  126    H    GLN  17           HN       GLN  17   1.398   6.863  -3.156
  127    HA   GLN  17           HA       GLN  17  -0.265   7.935  -5.166
  128    HB2  GLN  17           HB2      GLN  17   1.399   6.119  -5.467
  129    HB3  GLN  17           HB1      GLN  17   0.340   5.070  -4.534
  130    HG2  GLN  17           HG2      GLN  17  -1.280   5.012  -6.223
  131    HG3  GLN  17           HG1      GLN  17  -0.606   6.427  -7.034
  132   HE21  GLN  17          HE21      GLN  17   1.392   3.860  -5.817
  133   HE22  GLN  17          HE22      GLN  17   1.880   3.240  -7.347
  134    H    LEU  18           HN       LEU  18  -0.892   5.584  -2.541
  135    HA   LEU  18           HA       LEU  18  -3.687   5.356  -3.043
  136    HB2  LEU  18           HB2      LEU  18  -1.975   4.851  -0.629
  137    HB3  LEU  18           HB1      LEU  18  -3.709   4.679  -0.568
  138    HG   LEU  18           HG       LEU  18  -1.894   3.109  -2.390
  139   HD11  LEU  18          HD11      LEU  18  -3.225   2.473   0.223
  140   HD12  LEU  18          HD12      LEU  18  -1.491   2.578  -0.090
  141   HD13  LEU  18          HD13      LEU  18  -2.442   1.281  -0.819
  142   HD21  LEU  18          HD21      LEU  18  -4.211   3.410  -3.216
  143   HD22  LEU  18          HD22      LEU  18  -4.807   2.747  -1.693
  144   HD23  LEU  18          HD23      LEU  18  -3.851   1.740  -2.781
  145    H    ASN  19           HN       ASN  19  -1.640   7.431  -1.259
  146    HA   ASN  19           HA       ASN  19  -3.405   8.888   0.290
  147    HB2  ASN  19           HB2      ASN  19  -0.843   8.929   0.167
  148    HB3  ASN  19           HB1      ASN  19  -1.034  10.018  -1.194
  149   HD21  ASN  19          HD21      ASN  19  -1.623  12.128  -0.843
  150   HD22  ASN  19          HD22      ASN  19  -1.714  12.826   0.738
  151    H    SER  20           HN       SER  20  -2.723   8.932  -3.069
  152    HA   SER  20           HA       SER  20  -4.095  11.436  -3.613
  153    HB2  SER  20           HB2      SER  20  -2.088  10.602  -4.908
  154    HB3  SER  20           HB1      SER  20  -3.129   9.356  -5.593
  155    HG   SER  20           HG       SER  20  -4.240  10.855  -6.698
  156    H    MET  21           HN       MET  21  -4.836   8.144  -3.310
  157    HA   MET  21           HA       MET  21  -7.171   8.058  -5.007
  158    HB2  MET  21           HB2      MET  21  -6.330   6.165  -2.800
  159    HB3  MET  21           HB1      MET  21  -7.410   5.804  -4.137
  160    HG2  MET  21           HG2      MET  21  -4.585   6.631  -4.609
  161    HG3  MET  21           HG1      MET  21  -4.995   4.964  -4.226
  162    HE1  MET  21           HE1      MET  21  -4.225   5.060  -8.101
  163    HE2  MET  21           HE2      MET  21  -3.735   4.411  -6.535
  164    HE3  MET  21           HE3      MET  21  -3.514   6.124  -6.887
  165    H    GLY  22           HN       GLY  22  -6.403   9.171  -1.917
  166    HA2  GLY  22           HA2      GLY  22  -7.970  10.236  -0.458
  167    HA3  GLY  22           HA1      GLY  22  -9.219   9.157  -1.076
  168    H    PHE  23           HN       PHE  23  -6.269   7.604  -0.603
  169    HA   PHE  23           HA       PHE  23  -7.236   6.464   1.929
  170    HB2  PHE  23           HB2      PHE  23  -5.485   5.411  -0.267
  171    HB3  PHE  23           HB1      PHE  23  -5.508   4.644   1.315
  172    HD1  PHE  23           HD1      PHE  23  -7.976   4.163   2.214
  173    HD2  PHE  23           HD2      PHE  23  -6.889   4.625  -1.873
  174    HE1  PHE  23           HE1      PHE  23  -9.996   2.924   1.539
  175    HE2  PHE  23           HE2      PHE  23  -8.900   3.393  -2.554
  176    HZ   PHE  23           HZ       PHE  23 -10.460   2.543  -0.852
  177    H    ILE  24           HN       ILE  24  -6.363   7.350   3.633
  178    HA   ILE  24           HA       ILE  24  -3.529   8.130   3.580
  179    HB   ILE  24           HB       ILE  24  -4.359   9.887   5.380
  180   HG12  ILE  24          HG12      ILE  24  -6.780   9.082   4.989
  181   HG13  ILE  24          HG11      ILE  24  -6.477  10.814   5.057
  182   HG21  ILE  24          HG21      ILE  24  -4.405  11.583   3.609
  183   HG22  ILE  24          HG22      ILE  24  -4.494  10.296   2.408
  184   HG23  ILE  24          HG23      ILE  24  -3.073  10.442   3.442
  185   HD11  ILE  24          HD11      ILE  24  -6.533  10.928   2.625
  186   HD12  ILE  24          HD12      ILE  24  -8.020  10.229   3.260
  187   HD13  ILE  24          HD13      ILE  24  -6.789   9.187   2.544
  188    H    ASN  25           HN       ASN  25  -5.363   5.881   4.754
  189    HA   ASN  25           HA       ASN  25  -4.504   6.003   7.521
  190    HB2  ASN  25           HB2      ASN  25  -6.645   4.742   6.451
  191    HB3  ASN  25           HB1      ASN  25  -5.466   3.451   6.324
  192   HD21  ASN  25          HD21      ASN  25  -4.878   2.342   8.129
  193   HD22  ASN  25          HD22      ASN  25  -5.531   2.644   9.699
  194    H    ARG  26           HN       ARG  26  -2.288   6.239   7.060
  195    HA   ARG  26           HA       ARG  26  -0.705   4.941   5.283
  196    HB2  ARG  26           HB2      ARG  26  -0.206   5.835   8.086
  197    HB3  ARG  26           HB1      ARG  26   1.075   5.069   7.157
  198    HG2  ARG  26           HG2      ARG  26  -0.364   7.622   6.499
  199    HG3  ARG  26           HG1      ARG  26   1.299   7.450   7.066
  200    HD2  ARG  26           HD2      ARG  26   1.638   7.660   4.822
  201    HD3  ARG  26           HD1      ARG  26   1.526   5.914   4.956
  202    HE   ARG  26           HE       ARG  26  -0.577   5.992   3.948
  203   HH11  ARG  26          HH11      ARG  26   0.820   9.169   4.359
  204   HH12  ARG  26          HH12      ARG  26  -0.284   9.949   3.272
  205   HH21  ARG  26          HH21      ARG  26  -2.053   7.034   2.504
  206   HH22  ARG  26          HH22      ARG  26  -1.908   8.741   2.232
  207    H    GLU  27           HN       GLU  27  -1.410   3.855   8.545
  208    HA   GLU  27           HA       GLU  27  -0.141   1.446   8.669
  209    HB2  GLU  27           HB2      GLU  27  -2.985   1.659   9.613
  210    HB3  GLU  27           HB1      GLU  27  -1.621   0.863  10.385
  211    HG2  GLU  27           HG2      GLU  27  -2.105   3.826  10.184
  212    HG3  GLU  27           HG1      GLU  27  -2.234   2.827  11.629
  213    H    ALA  28           HN       ALA  28  -3.429   1.962   7.402
  214    HA   ALA  28           HA       ALA  28  -3.827  -0.727   6.617
  215    HB1  ALA  28           HB1      ALA  28  -5.699   0.768   7.092
  216    HB2  ALA  28           HB2      ALA  28  -5.817   0.101   5.465
  217    HB3  ALA  28           HB3      ALA  28  -5.261   1.757   5.698
  218    H    ASN  29           HN       ASN  29  -3.040   2.225   4.821
  219    HA   ASN  29           HA       ASN  29  -2.878   1.320   2.261
  220    HB2  ASN  29           HB2      ASN  29  -1.046   3.277   3.673
  221    HB3  ASN  29           HB1      ASN  29  -1.054   3.030   1.940
  222   HD21  ASN  29          HD21      ASN  29  -1.552   5.219   1.652
  223   HD22  ASN  29          HD22      ASN  29  -3.170   5.794   1.864
  224    H    LEU  30           HN       LEU  30  -0.040   1.416   4.472
  225    HA   LEU  30           HA       LEU  30   1.482  -0.057   2.548
  226    HB2  LEU  30           HB2      LEU  30   3.222  -0.161   4.429
  227    HB3  LEU  30           HB1      LEU  30   2.827   1.394   3.738
  228    HG   LEU  30           HG       LEU  30   1.303   1.765   5.725
  229   HD11  LEU  30          HD11      LEU  30   1.766   0.500   7.747
  230   HD12  LEU  30          HD12      LEU  30   2.845  -0.569   6.850
  231   HD13  LEU  30          HD13      LEU  30   1.120  -0.547   6.485
  232   HD21  LEU  30          HD21      LEU  30   3.150   2.433   7.172
  233   HD22  LEU  30          HD22      LEU  30   3.464   2.844   5.484
  234   HD23  LEU  30          HD23      LEU  30   4.257   1.446   6.215
  235    H    GLN  31           HN       GLN  31  -0.425  -1.006   5.343
  236    HA   GLN  31           HA       GLN  31   0.711  -3.586   5.609
  237    HB2  GLN  31           HB2      GLN  31  -1.970  -2.439   6.329
  238    HB3  GLN  31           HB1      GLN  31  -1.651  -4.153   6.524
  239    HG2  GLN  31           HG2      GLN  31   0.224  -2.169   7.718
  240    HG3  GLN  31           HG1      GLN  31  -1.316  -2.490   8.507
  241   HE21  GLN  31          HE21      GLN  31   0.353  -5.006   6.765
  242   HE22  GLN  31          HE22      GLN  31   0.875  -5.895   8.155
  243    H    ALA  32           HN       ALA  32  -1.581  -2.193   3.438
  244    HA   ALA  32           HA       ALA  32  -2.472  -4.672   2.280
  245    HB1  ALA  32           HB1      ALA  32  -2.651  -1.843   1.226
  246    HB2  ALA  32           HB2      ALA  32  -3.876  -2.664   2.195
  247    HB3  ALA  32           HB3      ALA  32  -3.500  -3.245   0.570
  248    H    LEU  33           HN       LEU  33  -0.012  -2.264   1.716
  249    HA   LEU  33           HA       LEU  33   1.001  -3.447  -0.662
  250    HB2  LEU  33           HB2      LEU  33   1.907  -1.344   1.222
  251    HB3  LEU  33           HB1      LEU  33   3.105  -2.085   0.182
  252    HG   LEU  33           HG       LEU  33   1.230  -1.516  -1.641
  253   HD11  LEU  33          HD11      LEU  33  -0.299  -0.452  -0.123
  254   HD12  LEU  33          HD12      LEU  33   0.376   0.739  -1.237
  255   HD13  LEU  33          HD13      LEU  33   0.969   0.648   0.419
  256   HD21  LEU  33          HD21      LEU  33   2.598   0.374  -2.227
  257   HD22  LEU  33          HD22      LEU  33   3.607  -0.963  -1.672
  258   HD23  LEU  33          HD23      LEU  33   3.283   0.404  -0.604
  259    H    ILE  34           HN       ILE  34   1.429  -4.057   2.729
  260    HA   ILE  34           HA       ILE  34   3.824  -5.584   2.468
  261    HB   ILE  34           HB       ILE  34   1.690  -5.751   4.598
  262   HG12  ILE  34          HG12      ILE  34   4.186  -4.089   4.400
  263   HG13  ILE  34          HG11      ILE  34   2.538  -3.542   4.623
  264   HG21  ILE  34          HG21      ILE  34   4.526  -6.766   4.625
  265   HG22  ILE  34          HG22      ILE  34   3.063  -7.746   4.557
  266   HG23  ILE  34          HG23      ILE  34   3.414  -6.788   5.994
  267   HD11  ILE  34          HD11      ILE  34   2.511  -4.505   6.864
  268   HD12  ILE  34          HD12      ILE  34   3.807  -3.325   6.673
  269   HD13  ILE  34          HD13      ILE  34   4.175  -5.050   6.649
  270    H    ALA  35           HN       ALA  35   0.376  -6.269   2.344
  271    HA   ALA  35           HA       ALA  35   0.694  -9.099   2.104
  272    HB1  ALA  35           HB1      ALA  35  -1.680  -9.135   1.584
  273    HB2  ALA  35           HB2      ALA  35  -1.684  -7.380   1.422
  274    HB3  ALA  35           HB3      ALA  35  -1.358  -8.122   2.990
  275    H    THR  36           HN       THR  36   0.711  -6.442  -0.112
  276    HA   THR  36           HA       THR  36   0.429  -8.240  -2.407
  277    HB   THR  36           HB       THR  36   0.247  -6.155  -3.745
  278    HG1  THR  36           HG1      THR  36  -0.123  -4.619  -1.449
  279   HG21  THR  36          HG21      THR  36  -1.618  -6.341  -1.378
  280   HG22  THR  36          HG22      THR  36  -1.765  -7.233  -2.893
  281   HG23  THR  36          HG23      THR  36  -1.955  -5.477  -2.879
  282    H    GLY  37           HN       GLY  37   2.786  -6.526  -0.631
  283    HA2  GLY  37           HA2      GLY  37   5.070  -6.454  -0.820
  284    HA3  GLY  37           HA1      GLY  37   4.942  -7.579  -2.162
  285    H    GLY  38           HN       GLY  38   3.256  -4.487  -2.203
  286    HA2  GLY  38           HA2      GLY  38   4.180  -2.440  -3.023
  287    HA3  GLY  38           HA1      GLY  38   5.425  -3.373  -3.845
  288    H    ASP  39           HN       ASP  39   2.207  -4.523  -3.939
  289    HA   ASP  39           HA       ASP  39   1.982  -3.624  -6.725
  290    HB2  ASP  39           HB2      ASP  39   1.849  -6.119  -6.347
  291    HB3  ASP  39           HB1      ASP  39   0.395  -5.841  -5.393
  292    H    ILE  40           HN       ILE  40   1.205  -1.672  -6.377
  293    HA   ILE  40           HA       ILE  40  -0.403  -1.030  -4.166
  294    HB   ILE  40           HB       ILE  40   1.233   0.399  -5.430
  295   HG12  ILE  40          HG12      ILE  40  -0.708   0.899  -3.660
  296   HG13  ILE  40          HG11      ILE  40   0.398   2.107  -4.253
  297   HG21  ILE  40          HG21      ILE  40   0.346   0.183  -7.673
  298   HG22  ILE  40          HG22      ILE  40   0.257   1.867  -7.162
  299   HG23  ILE  40          HG23      ILE  40  -1.197   0.871  -7.165
  300   HD11  ILE  40          HD11      ILE  40  -1.895   2.926  -4.216
  301   HD12  ILE  40          HD12      ILE  40  -2.366   1.629  -5.314
  302   HD13  ILE  40          HD13      ILE  40  -1.249   2.881  -5.855
  303    H    ASN  41           HN       ASN  41  -1.136  -2.044  -7.389
  304    HA   ASN  41           HA       ASN  41  -3.714  -0.945  -7.639
  305    HB2  ASN  41           HB2      ASN  41  -2.964  -3.635  -8.796
  306    HB3  ASN  41           HB1      ASN  41  -4.036  -2.414  -9.472
  307   HD21  ASN  41          HD21      ASN  41  -0.771  -3.460  -9.056
  308   HD22  ASN  41          HD22      ASN  41  -0.058  -2.355 -10.190
  309    H    ALA  42           HN       ALA  42  -2.533  -4.096  -6.566
  310    HA   ALA  42           HA       ALA  42  -5.050  -5.068  -5.707
  311    HB1  ALA  42           HB1      ALA  42  -3.155  -6.532  -6.249
  312    HB2  ALA  42           HB2      ALA  42  -3.790  -6.837  -4.632
  313    HB3  ALA  42           HB3      ALA  42  -2.294  -5.926  -4.834
  314    H    ALA  43           HN       ALA  43  -2.434  -3.254  -4.127
  315    HA   ALA  43           HA       ALA  43  -3.338  -3.254  -1.517
  316    HB1  ALA  43           HB1      ALA  43  -1.264  -2.189  -2.238
  317    HB2  ALA  43           HB2      ALA  43  -2.249  -1.104  -1.255
  318    HB3  ALA  43           HB3      ALA  43  -2.193  -0.902  -3.005
  319    H    ILE  44           HN       ILE  44  -4.386  -1.020  -4.140
  320    HA   ILE  44           HA       ILE  44  -6.317   0.336  -2.569
  321    HB   ILE  44           HB       ILE  44  -7.181   0.062  -5.336
  322   HG12  ILE  44          HG12      ILE  44  -4.363   0.928  -4.769
  323   HG13  ILE  44          HG11      ILE  44  -4.917  -0.275  -5.921
  324   HG21  ILE  44          HG21      ILE  44  -6.302   2.416  -3.672
  325   HG22  ILE  44          HG22      ILE  44  -7.949   1.799  -3.819
  326   HG23  ILE  44          HG23      ILE  44  -7.143   2.506  -5.221
  327   HD11  ILE  44          HD11      ILE  44  -5.415   2.685  -6.149
  328   HD12  ILE  44          HD12      ILE  44  -5.906   1.448  -7.310
  329   HD13  ILE  44          HD13      ILE  44  -4.193   1.774  -7.040
  330    H    GLU  45           HN       GLU  45  -6.497  -2.547  -4.588
  331    HA   GLU  45           HA       GLU  45  -9.306  -2.861  -4.323
  332    HB2  GLU  45           HB2      GLU  45  -7.155  -4.890  -4.977
  333    HB3  GLU  45           HB1      GLU  45  -8.882  -5.197  -5.113
  334    HG2  GLU  45           HG2      GLU  45  -7.416  -3.033  -6.605
  335    HG3  GLU  45           HG1      GLU  45  -7.759  -4.632  -7.257
  336    H    ARG  46           HN       ARG  46  -6.663  -3.495  -2.188
  337    HA   ARG  46           HA       ARG  46  -8.153  -5.376  -0.561
  338    HB2  ARG  46           HB2      ARG  46  -5.677  -3.768   0.123
  339    HB3  ARG  46           HB1      ARG  46  -6.390  -5.000   1.153
  340    HG2  ARG  46           HG2      ARG  46  -6.010  -6.627  -0.737
  341    HG3  ARG  46           HG1      ARG  46  -5.055  -5.359  -1.509
  342    HD2  ARG  46           HD2      ARG  46  -3.461  -6.610  -0.353
  343    HD3  ARG  46           HD1      ARG  46  -3.773  -5.253   0.718
  344    HE   ARG  46           HE       ARG  46  -4.786  -6.685   2.233
  345   HH11  ARG  46          HH11      ARG  46  -4.059  -8.363  -0.746
  346   HH12  ARG  46          HH12      ARG  46  -4.252  -9.941  -0.058
  347   HH21  ARG  46          HH21      ARG  46  -5.044  -8.776   3.153
  348   HH22  ARG  46          HH22      ARG  46  -4.855 -10.181   2.134
  349    H    LEU  47           HN       LEU  47  -7.311  -1.964  -0.402
  350    HA   LEU  47           HA       LEU  47  -8.628  -1.431   2.063
  351    HB2  LEU  47           HB2      LEU  47  -7.958   0.513  -0.142
  352    HB3  LEU  47           HB1      LEU  47  -8.221   0.882   1.548
  353    HG   LEU  47           HG       LEU  47  -5.932  -0.829   0.589
  354   HD11  LEU  47          HD11      LEU  47  -5.779   1.388  -0.420
  355   HD12  LEU  47          HD12      LEU  47  -4.545   1.174   0.822
  356   HD13  LEU  47          HD13      LEU  47  -5.984   2.134   1.164
  357   HD21  LEU  47          HD21      LEU  47  -6.445   0.653   3.164
  358   HD22  LEU  47          HD22      LEU  47  -4.982  -0.254   2.773
  359   HD23  LEU  47          HD23      LEU  47  -6.528  -1.094   2.936
  360    H    LEU  48           HN       LEU  48  -9.524  -1.025  -1.312
  361    HA   LEU  48           HA       LEU  48 -12.001   0.350  -0.675
  362    HB2  LEU  48           HB2      LEU  48 -10.297   0.647  -2.709
  363    HB3  LEU  48           HB1      LEU  48 -11.316  -0.587  -3.414
  364    HG   LEU  48           HG       LEU  48 -12.950   1.498  -2.294
  365   HD11  LEU  48          HD11      LEU  48 -10.920   2.324  -4.356
  366   HD12  LEU  48          HD12      LEU  48 -11.016   2.906  -2.696
  367   HD13  LEU  48          HD13      LEU  48 -12.310   3.276  -3.836
  368   HD21  LEU  48          HD21      LEU  48 -12.515   0.478  -5.098
  369   HD22  LEU  48          HD22      LEU  48 -13.850   1.506  -4.575
  370   HD23  LEU  48          HD23      LEU  48 -13.694  -0.130  -3.936
  371    H    GLY  49           HN       GLY  49 -10.864  -2.745  -1.865
  372    HA2  GLY  49           HA2      GLY  49 -13.506  -3.649  -2.599
  373    HA3  GLY  49           HA1      GLY  49 -12.036  -4.620  -2.609
  374    H    SER  50           HN       SER  50 -11.151  -4.754  -0.189
  375    HA   SER  50           HA       SER  50 -13.279  -6.091   1.239
  376    HB2  SER  50           HB2      SER  50 -10.343  -5.870   1.937
  377    HB3  SER  50           HB1      SER  50 -11.518  -6.962   2.671
  378    HG   SER  50           HG       SER  50 -11.513  -7.184  -0.031
  379    H    GLN  51           HN       GLN  51 -14.502  -4.235   1.767
  380    HA   GLN  51           HA       GLN  51 -13.256  -2.462   3.741
  381    HB2  GLN  51           HB2      GLN  51 -15.037  -0.820   3.102
  382    HB3  GLN  51           HB1      GLN  51 -13.919  -1.201   1.801
  383    HG2  GLN  51           HG2      GLN  51 -15.633  -2.864   0.980
  384    HG3  GLN  51           HG1      GLN  51 -16.752  -2.147   2.136
  385   HE21  GLN  51          HE21      GLN  51 -15.504   0.522   1.699
  386   HE22  GLN  51          HE22      GLN  51 -16.121   1.066   0.184
  387    H    LEU  52           HN       LEU  52 -13.645  -3.826   5.425
  388    HA   LEU  52           HA       LEU  52 -16.439  -4.542   5.929
  389    HB2  LEU  52           HB2      LEU  52 -13.853  -5.799   6.819
  390    HB3  LEU  52           HB1      LEU  52 -15.384  -6.198   7.552
  391    HG   LEU  52           HG       LEU  52 -16.182  -6.923   5.262
  392   HD11  LEU  52          HD11      LEU  52 -14.528  -5.760   3.913
  393   HD12  LEU  52          HD12      LEU  52 -14.463  -7.495   3.615
  394   HD13  LEU  52          HD13      LEU  52 -13.242  -6.728   4.628
  395   HD21  LEU  52          HD21      LEU  52 -15.092  -9.096   5.423
  396   HD22  LEU  52          HD22      LEU  52 -15.523  -8.489   7.021
  397   HD23  LEU  52          HD23      LEU  52 -13.852  -8.406   6.471
  398    H    SER  53           HN       SER  53 -16.974  -2.544   6.811
  399    HA   SER  53           HA       SER  53 -16.336  -2.336   9.628
  400    HB2  SER  53           HB2      SER  53 -15.912  -0.008   7.732
  401    HB3  SER  53           HB1      SER  53 -15.803   0.065   9.494
  402    HG   SER  53           HG       SER  53 -14.253  -1.919   8.655
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  25.414  -0.700  -1.311
    2    H2   GLY   1           HT2      GLY   1  25.146  -2.369  -1.159
    3    H3   GLY   1           HT3      GLY   1  25.283  -1.403   0.224
    4    HA2  GLY   1           HA1      GLY   1  23.258  -0.231  -0.336
    5    HA3  GLY   1           HA2      GLY   1  23.116  -1.202  -1.795
    6    HA   PRO   2           HA       PRO   2  21.587  -3.451   2.255
    7    HB2  PRO   2           HB2      PRO   2  19.155  -1.806   2.301
    8    HB3  PRO   2           HB1      PRO   2  20.214  -2.268   3.634
    9    HG2  PRO   2           HG2      PRO   2  20.125   0.253   2.701
   10    HG3  PRO   2           HG1      PRO   2  21.630  -0.470   3.303
   11    HD2  PRO   2           HD2      PRO   2  20.711  -0.078   0.475
   12    HD3  PRO   2           HD1      PRO   2  22.323   0.171   1.179
   13    H    LEU   3           HN       LEU   3  19.940  -5.018   2.208
   14    HA   LEU   3           HA       LEU   3  18.353  -5.045  -0.266
   15    HB2  LEU   3           HB2      LEU   3  18.554  -7.484  -0.302
   16    HB3  LEU   3           HB1      LEU   3  20.111  -6.694  -0.428
   17    HG   LEU   3           HG       LEU   3  20.037  -7.134   2.233
   18   HD11  LEU   3          HD11      LEU   3  19.184  -9.401   2.624
   19   HD12  LEU   3          HD12      LEU   3  18.487  -9.402   1.003
   20   HD13  LEU   3          HD13      LEU   3  17.906  -8.257   2.214
   21   HD21  LEU   3          HD21      LEU   3  21.460  -9.081   1.791
   22   HD22  LEU   3          HD22      LEU   3  21.859  -7.716   0.751
   23   HD23  LEU   3          HD23      LEU   3  20.934  -9.073   0.107
   24    H    GLY   4           HN       GLY   4  16.261  -5.090   0.002
   25    HA2  GLY   4           HA2      GLY   4  14.207  -5.755   0.818
   26    HA3  GLY   4           HA1      GLY   4  15.019  -6.697   2.057
   27    H    SER   5           HN       SER   5  16.535  -4.450   3.054
   28    HA   SER   5           HA       SER   5  14.550  -3.353   4.812
   29    HB2  SER   5           HB2      SER   5  17.536  -2.881   4.648
   30    HB3  SER   5           HB1      SER   5  16.487  -2.323   5.953
   31    HG   SER   5           HG       SER   5  16.002  -4.510   6.401
   32    H    MET   6           HN       MET   6  13.758  -2.508   2.503
   33    HA   MET   6           HA       MET   6  14.024   0.342   2.692
   34    HB2  MET   6           HB2      MET   6  14.236   0.250   0.033
   35    HB3  MET   6           HB1      MET   6  15.647   0.305   1.073
   36    HG2  MET   6           HG2      MET   6  16.068  -1.326  -0.569
   37    HG3  MET   6           HG1      MET   6  15.733  -2.195   0.926
   38    HE1  MET   6           HE1      MET   6  14.545  -1.266  -2.642
   39    HE2  MET   6           HE2      MET   6  13.269  -0.496  -1.695
   40    HE3  MET   6           HE3      MET   6  12.900  -1.899  -2.701
   41    HA   PRO   7           HA       PRO   7  10.074  -2.054   1.456
   42    HB2  PRO   7           HB2      PRO   7   8.919  -1.161   4.006
   43    HB3  PRO   7           HB1      PRO   7   9.020  -2.789   3.331
   44    HG2  PRO   7           HG2      PRO   7  10.500  -2.037   5.449
   45    HG3  PRO   7           HG1      PRO   7  11.104  -3.183   4.236
   46    HD2  PRO   7           HD2      PRO   7  11.674  -0.254   4.529
   47    HD3  PRO   7           HD1      PRO   7  12.794  -1.586   4.166
   48    H    GLU   8           HN       GLU   8  10.144   0.929   3.373
   49    HA   GLU   8           HA       GLU   8   7.825   2.004   2.106
   50    HB2  GLU   8           HB2      GLU   8   9.890   3.162   3.964
   51    HB3  GLU   8           HB1      GLU   8   8.557   4.115   3.320
   52    HG2  GLU   8           HG2      GLU   8   6.956   2.893   4.455
   53    HG3  GLU   8           HG1      GLU   8   8.036   1.520   4.700
   54    H    VAL   9           HN       VAL   9  11.116   1.855   1.253
   55    HA   VAL   9           HA       VAL   9  11.264   4.079  -0.472
   56    HB   VAL   9           HB       VAL   9  12.592   1.364  -0.691
   57   HG11  VAL   9          HG11      VAL   9  13.255   3.916  -2.156
   58   HG12  VAL   9          HG12      VAL   9  12.562   2.459  -2.872
   59   HG13  VAL   9          HG13      VAL   9  14.193   2.423  -2.198
   60   HG21  VAL   9          HG21      VAL   9  14.548   2.543   0.225
   61   HG22  VAL   9          HG22      VAL   9  13.174   2.574   1.330
   62   HG23  VAL   9          HG23      VAL   9  13.574   4.006   0.381
   63    H    ARG  10           HN       ARG  10   9.704   0.960  -0.680
   64    HA   ARG  10           HA       ARG  10   8.690   1.653  -3.364
   65    HB2  ARG  10           HB2      ARG  10   8.136  -0.916  -1.857
   66    HB3  ARG  10           HB1      ARG  10   7.966  -0.605  -3.580
   67    HG2  ARG  10           HG2      ARG  10  10.539  -0.826  -2.035
   68    HG3  ARG  10           HG1      ARG  10   9.902  -1.967  -3.213
   69    HD2  ARG  10           HD2      ARG  10  10.824   0.852  -3.736
   70    HD3  ARG  10           HD1      ARG  10  11.648  -0.625  -4.224
   71    HE   ARG  10           HE       ARG  10   9.353  -0.939  -5.497
   72   HH11  ARG  10          HH11      ARG  10  11.312   1.956  -5.168
   73   HH12  ARG  10          HH12      ARG  10  10.799   2.627  -6.683
   74   HH21  ARG  10          HH21      ARG  10   8.673  -0.052  -7.482
   75   HH22  ARG  10          HH22      ARG  10   9.308   1.486  -8.002
   76    H    PHE  11           HN       PHE  11   7.632   0.743  -0.123
   77    HA   PHE  11           HA       PHE  11   4.877   0.805  -0.602
   78    HB2  PHE  11           HB2      PHE  11   6.475   1.078   1.940
   79    HB3  PHE  11           HB1      PHE  11   4.713   1.069   1.920
   80    HD1  PHE  11           HD2      PHE  11   5.661  -0.978  -0.681
   81    HD2  PHE  11           HD1      PHE  11   5.554  -0.904   3.573
   82    HE1  PHE  11           HE2      PHE  11   5.693  -3.432  -0.641
   83    HE2  PHE  11           HE1      PHE  11   5.588  -3.363   3.618
   84    HZ   PHE  11           HZ       PHE  11   5.572  -4.625   1.583
   85    H    GLN  12           HN       GLN  12   6.940   3.304   0.924
   86    HA   GLN  12           HA       GLN  12   4.808   5.006   1.543
   87    HB2  GLN  12           HB2      GLN  12   7.083   5.205   2.516
   88    HB3  GLN  12           HB1      GLN  12   7.652   5.852   0.983
   89    HG2  GLN  12           HG2      GLN  12   6.067   7.720   1.211
   90    HG3  GLN  12           HG1      GLN  12   5.572   7.090   2.779
   91   HE21  GLN  12          HE21      GLN  12   8.867   7.013   1.619
   92   HE22  GLN  12          HE22      GLN  12   9.492   8.178   2.727
   93    H    GLN  13           HN       GLN  13   6.745   4.739  -1.386
   94    HA   GLN  13           HA       GLN  13   5.784   7.099  -2.616
   95    HB2  GLN  13           HB2      GLN  13   6.852   4.545  -3.835
   96    HB3  GLN  13           HB1      GLN  13   6.533   6.019  -4.743
   97    HG2  GLN  13           HG2      GLN  13   8.552   5.626  -2.549
   98    HG3  GLN  13           HG1      GLN  13   8.856   5.957  -4.249
   99   HE21  GLN  13          HE21      GLN  13   7.807   7.263  -1.253
  100   HE22  GLN  13          HE22      GLN  13   7.881   8.911  -1.717
  101    H    GLN  14           HN       GLN  14   4.714   3.763  -2.636
  102    HA   GLN  14           HA       GLN  14   2.423   4.291  -4.280
  103    HB2  GLN  14           HB2      GLN  14   3.374   1.968  -2.662
  104    HB3  GLN  14           HB1      GLN  14   1.715   1.998  -3.230
  105    HG2  GLN  14           HG2      GLN  14   2.402   2.042  -5.501
  106    HG3  GLN  14           HG1      GLN  14   4.073   2.336  -5.051
  107   HE21  GLN  14          HE21      GLN  14   5.295   0.658  -4.184
  108   HE22  GLN  14          HE22      GLN  14   4.815  -0.984  -4.379
  109    H    LEU  15           HN       LEU  15   3.158   4.630  -0.931
  110    HA   LEU  15           HA       LEU  15   0.458   4.565   0.008
  111    HB2  LEU  15           HB2      LEU  15   2.920   5.746   1.296
  112    HB3  LEU  15           HB1      LEU  15   1.362   5.570   2.078
  113    HG   LEU  15           HG       LEU  15   3.293   3.419   1.275
  114   HD11  LEU  15          HD11      LEU  15   3.646   4.364   3.457
  115   HD12  LEU  15          HD12      LEU  15   2.976   2.736   3.619
  116   HD13  LEU  15          HD13      LEU  15   1.943   4.145   3.864
  117   HD21  LEU  15          HD21      LEU  15   1.092   2.737   0.495
  118   HD22  LEU  15          HD22      LEU  15   0.422   3.056   2.096
  119   HD23  LEU  15          HD23      LEU  15   1.614   1.776   1.879
  120    H    GLU  16           HN       GLU  16   2.725   7.074  -0.988
  121    HA   GLU  16           HA       GLU  16   0.925   9.232  -0.528
  122    HB2  GLU  16           HB2      GLU  16   3.274   9.113  -2.424
  123    HB3  GLU  16           HB1      GLU  16   2.514  10.563  -1.776
  124    HG2  GLU  16           HG2      GLU  16   3.161   9.816   0.497
  125    HG3  GLU  16           HG1      GLU  16   4.040   8.482  -0.245
  126    H    GLN  17           HN       GLN  17   1.481   6.981  -3.087
  127    HA   GLN  17           HA       GLN  17  -0.100   8.222  -5.076
  128    HB2  GLN  17           HB2      GLN  17   1.451   6.331  -5.468
  129    HB3  GLN  17           HB1      GLN  17   0.361   5.305  -4.543
  130    HG2  GLN  17           HG2      GLN  17  -1.318   5.429  -6.184
  131    HG3  GLN  17           HG1      GLN  17  -0.532   6.778  -7.001
  132   HE21  GLN  17          HE21      GLN  17   1.184   3.966  -5.840
  133   HE22  GLN  17          HE22      GLN  17   1.578   3.323  -7.393
  134    H    LEU  18           HN       LEU  18  -0.858   5.701  -2.652
  135    HA   LEU  18           HA       LEU  18  -3.647   5.624  -3.118
  136    HB2  LEU  18           HB2      LEU  18  -1.924   4.945  -0.759
  137    HB3  LEU  18           HB1      LEU  18  -3.659   4.859  -0.649
  138    HG   LEU  18           HG       LEU  18  -1.983   3.269  -2.577
  139   HD11  LEU  18          HD11      LEU  18  -2.591   1.419  -1.048
  140   HD12  LEU  18          HD12      LEU  18  -3.269   2.621   0.058
  141   HD13  LEU  18          HD13      LEU  18  -1.544   2.635  -0.312
  142   HD21  LEU  18          HD21      LEU  18  -4.019   2.014  -2.952
  143   HD22  LEU  18          HD22      LEU  18  -4.301   3.718  -3.327
  144   HD23  LEU  18          HD23      LEU  18  -4.891   3.036  -1.806
  145    H    ASN  19           HN       ASN  19  -1.551   7.504  -1.133
  146    HA   ASN  19           HA       ASN  19  -3.278   8.965   0.436
  147    HB2  ASN  19           HB2      ASN  19  -0.720   8.958   0.328
  148    HB3  ASN  19           HB1      ASN  19  -0.879  10.107  -0.989
  149   HD21  ASN  19          HD21      ASN  19  -1.523  12.207  -0.564
  150   HD22  ASN  19          HD22      ASN  19  -1.563  12.862   1.038
  151    H    SER  20           HN       SER  20  -2.502   9.241  -2.907
  152    HA   SER  20           HA       SER  20  -3.910  11.778  -3.248
  153    HB2  SER  20           HB2      SER  20  -1.724  11.070  -4.441
  154    HB3  SER  20           HB1      SER  20  -2.768  10.085  -5.469
  155    HG   SER  20           HG       SER  20  -3.935  12.053  -5.932
  156    H    MET  21           HN       MET  21  -4.691   8.605  -3.041
  157    HA   MET  21           HA       MET  21  -6.867   8.631  -5.004
  158    HB2  MET  21           HB2      MET  21  -5.847   6.416  -3.210
  159    HB3  MET  21           HB1      MET  21  -7.037   6.235  -4.489
  160    HG2  MET  21           HG2      MET  21  -4.532   7.436  -5.361
  161    HG3  MET  21           HG1      MET  21  -4.360   5.801  -4.729
  162    HE1  MET  21           HE1      MET  21  -6.809   3.801  -7.024
  163    HE2  MET  21           HE2      MET  21  -7.193   4.557  -5.476
  164    HE3  MET  21           HE3      MET  21  -5.654   3.720  -5.692
  165    H    GLY  22           HN       GLY  22  -6.301   9.512  -1.895
  166    HA2  GLY  22           HA2      GLY  22  -7.940  10.324  -0.412
  167    HA3  GLY  22           HA1      GLY  22  -9.126   9.264  -1.171
  168    H    PHE  23           HN       PHE  23  -6.097   7.875  -0.515
  169    HA   PHE  23           HA       PHE  23  -7.176   6.548   1.878
  170    HB2  PHE  23           HB2      PHE  23  -5.353   5.593  -0.311
  171    HB3  PHE  23           HB1      PHE  23  -5.449   4.745   1.226
  172    HD1  PHE  23           HD1      PHE  23  -7.791   3.986   1.966
  173    HD2  PHE  23           HD2      PHE  23  -6.830   5.122  -2.015
  174    HE1  PHE  23           HE1      PHE  23  -9.749   2.748   1.146
  175    HE2  PHE  23           HE2      PHE  23  -8.790   3.889  -2.847
  176    HZ   PHE  23           HZ       PHE  23 -10.269   2.738  -1.278
  177    H    ILE  24           HN       ILE  24  -6.295   7.339   3.655
  178    HA   ILE  24           HA       ILE  24  -3.488   8.193   3.581
  179    HB   ILE  24           HB       ILE  24  -4.321   9.955   5.364
  180   HG12  ILE  24          HG12      ILE  24  -6.742   9.103   4.984
  181   HG13  ILE  24          HG11      ILE  24  -6.465  10.840   5.070
  182   HG21  ILE  24          HG21      ILE  24  -4.525  10.355   2.387
  183   HG22  ILE  24          HG22      ILE  24  -3.063  10.463   3.366
  184   HG23  ILE  24          HG23      ILE  24  -4.358  11.637   3.590
  185   HD11  ILE  24          HD11      ILE  24  -8.009  10.266   3.279
  186   HD12  ILE  24          HD12      ILE  24  -6.782   9.228   2.545
  187   HD13  ILE  24          HD13      ILE  24  -6.525  10.971   2.636
  188    H    ASN  25           HN       ASN  25  -5.632   6.149   4.949
  189    HA   ASN  25           HA       ASN  25  -4.518   6.132   7.593
  190    HB2  ASN  25           HB2      ASN  25  -6.707   4.835   6.395
  191    HB3  ASN  25           HB1      ASN  25  -5.554   3.555   6.731
  192   HD21  ASN  25          HD21      ASN  25  -5.062   3.036   8.853
  193   HD22  ASN  25          HD22      ASN  25  -5.973   3.635  10.196
  194    H    ARG  26           HN       ARG  26  -2.333   6.255   7.026
  195    HA   ARG  26           HA       ARG  26  -0.819   4.832   5.311
  196    HB2  ARG  26           HB2      ARG  26  -0.326   5.695   8.118
  197    HB3  ARG  26           HB1      ARG  26   0.919   4.824   7.233
  198    HG2  ARG  26           HG2      ARG  26  -0.296   7.480   6.525
  199    HG3  ARG  26           HG1      ARG  26   1.329   7.188   7.143
  200    HD2  ARG  26           HD2      ARG  26   1.736   7.395   4.906
  201    HD3  ARG  26           HD1      ARG  26   1.530   5.652   5.031
  202    HE   ARG  26           HE       ARG  26  -0.550   5.847   3.969
  203   HH11  ARG  26          HH11      ARG  26   1.033   8.956   4.364
  204   HH12  ARG  26          HH12      ARG  26  -0.072   9.790   3.306
  205   HH21  ARG  26          HH21      ARG  26  -2.022   6.974   2.587
  206   HH22  ARG  26          HH22      ARG  26  -1.791   8.672   2.312
  207    H    GLU  27           HN       GLU  27  -1.677   3.809   8.559
  208    HA   GLU  27           HA       GLU  27  -0.615   1.340   8.807
  209    HB2  GLU  27           HB2      GLU  27  -3.524   1.588   9.446
  210    HB3  GLU  27           HB1      GLU  27  -2.230   0.885  10.403
  211    HG2  GLU  27           HG2      GLU  27  -2.789   3.812   9.995
  212    HG3  GLU  27           HG1      GLU  27  -3.047   2.878  11.466
  213    H    ALA  28           HN       ALA  28  -3.774   1.958   7.290
  214    HA   ALA  28           HA       ALA  28  -4.163  -0.728   6.496
  215    HB1  ALA  28           HB1      ALA  28  -5.542   1.765   5.520
  216    HB2  ALA  28           HB2      ALA  28  -6.036   0.789   6.903
  217    HB3  ALA  28           HB3      ALA  28  -6.097   0.110   5.276
  218    H    ASN  29           HN       ASN  29  -3.321   2.228   4.701
  219    HA   ASN  29           HA       ASN  29  -3.030   1.330   2.156
  220    HB2  ASN  29           HB2      ASN  29  -1.259   3.238   3.697
  221    HB3  ASN  29           HB1      ASN  29  -1.140   3.000   1.961
  222   HD21  ASN  29          HD21      ASN  29  -1.599   5.210   1.659
  223   HD22  ASN  29          HD22      ASN  29  -3.228   5.795   1.758
  224    H    LEU  30           HN       LEU  30  -0.309   1.367   4.499
  225    HA   LEU  30           HA       LEU  30   1.288  -0.100   2.633
  226    HB2  LEU  30           HB2      LEU  30   2.965  -0.191   4.549
  227    HB3  LEU  30           HB1      LEU  30   2.566   1.373   3.880
  228    HG   LEU  30           HG       LEU  30   0.974   1.656   5.838
  229   HD11  LEU  30          HD11      LEU  30   1.461   0.367   7.843
  230   HD12  LEU  30          HD12      LEU  30   2.580  -0.649   6.934
  231   HD13  LEU  30          HD13      LEU  30   0.858  -0.673   6.556
  232   HD21  LEU  30          HD21      LEU  30   3.102   2.820   5.661
  233   HD22  LEU  30          HD22      LEU  30   3.931   1.438   6.379
  234   HD23  LEU  30          HD23      LEU  30   2.772   2.365   7.332
  235    H    GLN  31           HN       GLN  31  -0.711  -1.057   5.372
  236    HA   GLN  31           HA       GLN  31   0.371  -3.637   5.727
  237    HB2  GLN  31           HB2      GLN  31  -2.370  -2.502   6.105
  238    HB3  GLN  31           HB1      GLN  31  -2.100  -4.221   6.310
  239    HG2  GLN  31           HG2      GLN  31  -0.709  -2.032   7.819
  240    HG3  GLN  31           HG1      GLN  31  -2.035  -3.022   8.432
  241   HE21  GLN  31          HE21      GLN  31   1.330  -2.861   7.716
  242   HE22  GLN  31          HE22      GLN  31   1.776  -4.366   8.444
  243    H    ALA  32           HN       ALA  32  -1.770  -2.247   3.404
  244    HA   ALA  32           HA       ALA  32  -2.539  -4.737   2.182
  245    HB1  ALA  32           HB1      ALA  32  -3.527  -3.351   0.436
  246    HB2  ALA  32           HB2      ALA  32  -2.718  -1.926   1.087
  247    HB3  ALA  32           HB3      ALA  32  -3.966  -2.740   2.031
  248    H    LEU  33           HN       LEU  33  -0.067  -2.318   1.781
  249    HA   LEU  33           HA       LEU  33   0.992  -3.430  -0.624
  250    HB2  LEU  33           HB2      LEU  33   1.794  -1.289   1.267
  251    HB3  LEU  33           HB1      LEU  33   3.035  -1.974   0.235
  252    HG   LEU  33           HG       LEU  33   1.163  -1.507  -1.606
  253   HD11  LEU  33          HD11      LEU  33   0.672   0.557   0.501
  254   HD12  LEU  33          HD12      LEU  33  -0.495  -0.534  -0.243
  255   HD13  LEU  33          HD13      LEU  33   0.234   0.762  -1.195
  256   HD21  LEU  33          HD21      LEU  33   2.392   0.534  -2.132
  257   HD22  LEU  33          HD22      LEU  33   3.469  -0.788  -1.680
  258   HD23  LEU  33          HD23      LEU  33   3.117   0.498  -0.525
  259    H    ILE  34           HN       ILE  34   1.444  -4.036   2.790
  260    HA   ILE  34           HA       ILE  34   3.921  -5.452   2.476
  261    HB   ILE  34           HB       ILE  34   1.907  -5.753   4.715
  262   HG12  ILE  34          HG12      ILE  34   4.117  -3.766   4.276
  263   HG13  ILE  34          HG11      ILE  34   2.461  -3.480   4.764
  264   HG21  ILE  34          HG21      ILE  34   3.530  -7.569   4.596
  265   HG22  ILE  34          HG22      ILE  34   3.813  -6.559   6.015
  266   HG23  ILE  34          HG23      ILE  34   4.850  -6.399   4.597
  267   HD11  ILE  34          HD11      ILE  34   2.934  -4.458   6.953
  268   HD12  ILE  34          HD12      ILE  34   3.972  -3.078   6.601
  269   HD13  ILE  34          HD13      ILE  34   4.607  -4.718   6.467
  270    H    ALA  35           HN       ALA  35   0.527  -6.225   2.342
  271    HA   ALA  35           HA       ALA  35   0.922  -9.058   2.239
  272    HB1  ALA  35           HB1      ALA  35  -1.095  -8.109   3.184
  273    HB2  ALA  35           HB2      ALA  35  -1.481  -9.122   1.791
  274    HB3  ALA  35           HB3      ALA  35  -1.488  -7.365   1.635
  275    H    THR  36           HN       THR  36   0.888  -6.452  -0.052
  276    HA   THR  36           HA       THR  36   0.643  -8.343  -2.287
  277    HB   THR  36           HB       THR  36   0.355  -6.302  -3.691
  278    HG1  THR  36           HG1      THR  36  -0.139  -4.781  -1.397
  279   HG21  THR  36          HG21      THR  36  -1.586  -7.524  -2.826
  280   HG22  THR  36          HG22      THR  36  -1.909  -5.792  -2.896
  281   HG23  THR  36          HG23      THR  36  -1.540  -6.558  -1.350
  282    H    GLY  37           HN       GLY  37   2.944  -6.414  -0.623
  283    HA2  GLY  37           HA2      GLY  37   5.222  -6.228  -0.887
  284    HA3  GLY  37           HA1      GLY  37   5.111  -7.433  -2.165
  285    H    GLY  38           HN       GLY  38   3.311  -4.395  -2.247
  286    HA2  GLY  38           HA2      GLY  38   4.005  -2.379  -3.236
  287    HA3  GLY  38           HA1      GLY  38   5.374  -3.219  -3.948
  288    H    ASP  39           HN       ASP  39   2.059  -4.258  -3.974
  289    HA   ASP  39           HA       ASP  39   1.884  -3.569  -6.819
  290    HB2  ASP  39           HB2      ASP  39   1.887  -6.078  -6.422
  291    HB3  ASP  39           HB1      ASP  39   0.379  -5.864  -5.535
  292    H    ILE  40           HN       ILE  40   1.041  -1.670  -6.409
  293    HA   ILE  40           HA       ILE  40  -0.572  -1.165  -4.192
  294    HB   ILE  40           HB       ILE  40   1.018   0.365  -5.523
  295   HG12  ILE  40          HG12      ILE  40  -1.097   0.755  -3.709
  296   HG13  ILE  40          HG11      ILE  40   0.340   1.719  -3.929
  297   HG21  ILE  40          HG21      ILE  40  -1.580   0.859  -6.996
  298   HG22  ILE  40          HG22      ILE  40  -0.072   0.255  -7.683
  299   HG23  ILE  40          HG23      ILE  40  -0.164   1.905  -7.066
  300   HD11  ILE  40          HD11      ILE  40  -1.687   3.084  -4.008
  301   HD12  ILE  40          HD12      ILE  40  -2.261   2.140  -5.383
  302   HD13  ILE  40          HD13      ILE  40  -0.811   3.131  -5.536
  303    H    ASN  41           HN       ASN  41  -1.370  -2.114  -7.426
  304    HA   ASN  41           HA       ASN  41  -4.043  -1.236  -7.539
  305    HB2  ASN  41           HB2      ASN  41  -3.135  -3.859  -8.722
  306    HB3  ASN  41           HB1      ASN  41  -4.336  -2.735  -9.344
  307   HD21  ASN  41          HD21      ASN  41  -1.024  -3.602  -9.194
  308   HD22  ASN  41          HD22      ASN  41  -0.444  -2.428 -10.336
  309    H    ALA  42           HN       ALA  42  -2.586  -4.299  -6.535
  310    HA   ALA  42           HA       ALA  42  -4.990  -5.433  -5.555
  311    HB1  ALA  42           HB1      ALA  42  -2.154  -6.157  -4.848
  312    HB2  ALA  42           HB2      ALA  42  -3.040  -6.766  -6.247
  313    HB3  ALA  42           HB3      ALA  42  -3.587  -7.159  -4.615
  314    H    ALA  43           HN       ALA  43  -2.418  -3.484  -4.098
  315    HA   ALA  43           HA       ALA  43  -3.202  -3.593  -1.439
  316    HB1  ALA  43           HB1      ALA  43  -2.191  -1.395  -1.184
  317    HB2  ALA  43           HB2      ALA  43  -2.205  -1.174  -2.934
  318    HB3  ALA  43           HB3      ALA  43  -1.193  -2.426  -2.212
  319    H    ILE  44           HN       ILE  44  -4.419  -1.396  -3.992
  320    HA   ILE  44           HA       ILE  44  -6.277  -0.035  -2.362
  321    HB   ILE  44           HB       ILE  44  -6.846  -0.486  -5.273
  322   HG12  ILE  44          HG12      ILE  44  -4.912   1.604  -4.310
  323   HG13  ILE  44          HG11      ILE  44  -4.366   0.016  -4.839
  324   HG21  ILE  44          HG21      ILE  44  -8.416   0.821  -3.933
  325   HG22  ILE  44          HG22      ILE  44  -7.616   1.833  -5.135
  326   HG23  ILE  44          HG23      ILE  44  -7.109   1.903  -3.448
  327   HD11  ILE  44          HD11      ILE  44  -5.890   2.012  -6.495
  328   HD12  ILE  44          HD12      ILE  44  -5.389   0.410  -7.029
  329   HD13  ILE  44          HD13      ILE  44  -4.176   1.624  -6.632
  330    H    GLU  45           HN       GLU  45  -6.544  -2.978  -4.310
  331    HA   GLU  45           HA       GLU  45  -9.381  -3.116  -3.994
  332    HB2  GLU  45           HB2      GLU  45  -9.297  -5.183  -5.180
  333    HB3  GLU  45           HB1      GLU  45  -8.151  -4.088  -5.933
  334    HG2  GLU  45           HG2      GLU  45  -6.843  -5.897  -5.901
  335    HG3  GLU  45           HG1      GLU  45  -6.501  -5.360  -4.258
  336    H    ARG  46           HN       ARG  46  -6.686  -4.092  -2.083
  337    HA   ARG  46           HA       ARG  46  -8.293  -5.820  -0.393
  338    HB2  ARG  46           HB2      ARG  46  -5.504  -4.720  -0.025
  339    HB3  ARG  46           HB1      ARG  46  -6.292  -5.806   1.109
  340    HG2  ARG  46           HG2      ARG  46  -6.525  -7.439  -0.806
  341    HG3  ARG  46           HG1      ARG  46  -5.449  -6.378  -1.715
  342    HD2  ARG  46           HD2      ARG  46  -3.818  -6.590   0.196
  343    HD3  ARG  46           HD1      ARG  46  -4.858  -7.855   0.836
  344    HE   ARG  46           HE       ARG  46  -3.934  -8.170  -1.911
  345   HH11  ARG  46          HH11      ARG  46  -3.801  -9.308   1.411
  346   HH12  ARG  46          HH12      ARG  46  -2.611 -10.527   1.077
  347   HH21  ARG  46          HH21      ARG  46  -2.364  -9.791  -2.343
  348   HH22  ARG  46          HH22      ARG  46  -1.786 -10.786  -1.031
  349    H    LEU  47           HN       LEU  47  -7.322  -2.486  -0.529
  350    HA   LEU  47           HA       LEU  47  -8.176  -1.751   2.087
  351    HB2  LEU  47           HB2      LEU  47  -7.948  -0.108  -0.435
  352    HB3  LEU  47           HB1      LEU  47  -8.240   0.547   1.163
  353    HG   LEU  47           HG       LEU  47  -5.763  -0.970   0.355
  354   HD11  LEU  47          HD11      LEU  47  -4.655   1.202   0.454
  355   HD12  LEU  47          HD12      LEU  47  -6.208   1.978   0.761
  356   HD13  LEU  47          HD13      LEU  47  -5.917   1.172  -0.780
  357   HD21  LEU  47          HD21      LEU  47  -4.874  -0.159   2.490
  358   HD22  LEU  47          HD22      LEU  47  -6.284  -1.193   2.726
  359   HD23  LEU  47          HD23      LEU  47  -6.441   0.559   2.866
  360    H    LEU  48           HN       LEU  48  -9.696  -1.626  -1.105
  361    HA   LEU  48           HA       LEU  48 -12.298  -0.970  -0.190
  362    HB2  LEU  48           HB2      LEU  48 -11.106  -2.049  -2.678
  363    HB3  LEU  48           HB1      LEU  48 -12.804  -2.385  -2.424
  364    HG   LEU  48           HG       LEU  48 -12.507  -0.426  -3.821
  365   HD11  LEU  48          HD11      LEU  48 -13.503   0.356  -1.090
  366   HD12  LEU  48          HD12      LEU  48 -14.425  -0.556  -2.282
  367   HD13  LEU  48          HD13      LEU  48 -13.936   1.104  -2.628
  368   HD21  LEU  48          HD21      LEU  48 -10.338   0.320  -3.038
  369   HD22  LEU  48          HD22      LEU  48 -11.025   0.738  -1.469
  370   HD23  LEU  48          HD23      LEU  48 -11.512   1.629  -2.910
  371    H    GLY  49           HN       GLY  49 -10.490  -3.927  -0.598
  372    HA2  GLY  49           HA2      GLY  49 -10.872  -6.031   0.244
  373    HA3  GLY  49           HA1      GLY  49 -12.196  -5.366   1.198
  374    H    SER  50           HN       SER  50 -11.251  -6.248  -2.051
  375    HA   SER  50           HA       SER  50 -13.392  -6.104  -3.575
  376    HB2  SER  50           HB2      SER  50 -11.648  -8.566  -3.362
  377    HB3  SER  50           HB1      SER  50 -12.666  -8.150  -4.742
  378    HG   SER  50           HG       SER  50 -10.209  -7.425  -4.430
  379    H    GLN  51           HN       GLN  51 -15.389  -6.249  -2.892
  380    HA   GLN  51           HA       GLN  51 -16.301  -8.725  -1.629
  381    HB2  GLN  51           HB2      GLN  51 -18.270  -7.231  -0.915
  382    HB3  GLN  51           HB1      GLN  51 -16.738  -7.019  -0.094
  383    HG2  GLN  51           HG2      GLN  51 -16.263  -5.083  -1.583
  384    HG3  GLN  51           HG1      GLN  51 -17.879  -5.271  -2.262
  385   HE21  GLN  51          HE21      GLN  51 -17.052  -5.751   1.107
  386   HE22  GLN  51          HE22      GLN  51 -17.913  -4.377   1.714
  387    H    LEU  52           HN       LEU  52 -16.699  -9.862  -3.448
  388    HA   LEU  52           HA       LEU  52 -18.660  -8.703  -5.282
  389    HB2  LEU  52           HB2      LEU  52 -17.563 -10.075  -7.078
  390    HB3  LEU  52           HB1      LEU  52 -16.662  -8.691  -6.510
  391    HG   LEU  52           HG       LEU  52 -16.065 -11.413  -5.388
  392   HD11  LEU  52          HD11      LEU  52 -14.968 -10.287  -7.962
  393   HD12  LEU  52          HD12      LEU  52 -16.046 -11.676  -7.823
  394   HD13  LEU  52          HD13      LEU  52 -14.416 -11.752  -7.153
  395   HD21  LEU  52          HD21      LEU  52 -15.024  -9.400  -4.369
  396   HD22  LEU  52          HD22      LEU  52 -14.323  -9.000  -5.937
  397   HD23  LEU  52          HD23      LEU  52 -13.838 -10.476  -5.105
  398    H    SER  53           HN       SER  53 -20.338  -9.580  -4.320
  399    HA   SER  53           HA       SER  53 -22.087 -11.043  -4.390
  400    HB2  SER  53           HB2      SER  53 -20.976 -12.141  -6.378
  401    HB3  SER  53           HB1      SER  53 -20.164 -13.223  -5.251
  402    HG   SER  53           HG       SER  53 -22.077 -14.157  -4.731
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  22.664 -11.069  -1.299
    2    H2   GLY   1           HT2      GLY   1  22.487 -11.672  -2.874
    3    H3   GLY   1           HT3      GLY   1  22.329 -12.710  -1.548
    4    HA2  GLY   1           HA1      GLY   1  20.167 -12.209  -2.428
    5    HA3  GLY   1           HA2      GLY   1  20.359 -11.525  -0.819
    6    HA   PRO   2           HA       PRO   2  19.515  -8.169  -4.083
    7    HB2  PRO   2           HB2      PRO   2  16.669  -8.502  -4.083
    8    HB3  PRO   2           HB1      PRO   2  17.783  -8.683  -5.437
    9    HG2  PRO   2           HG2      PRO   2  16.369 -10.754  -4.285
   10    HG3  PRO   2           HG1      PRO   2  17.859 -10.947  -5.224
   11    HD2  PRO   2           HD2      PRO   2  17.470 -10.955  -2.262
   12    HD3  PRO   2           HD1      PRO   2  18.581 -11.912  -3.264
   13    H    LEU   3           HN       LEU   3  18.492  -6.134  -3.649
   14    HA   LEU   3           HA       LEU   3  18.284  -5.618  -0.840
   15    HB2  LEU   3           HB2      LEU   3  17.913  -3.819  -3.230
   16    HB3  LEU   3           HB1      LEU   3  17.912  -3.268  -1.569
   17    HG   LEU   3           HG       LEU   3  20.257  -4.630  -2.883
   18   HD11  LEU   3          HD11      LEU   3  19.777  -2.535  -3.995
   19   HD12  LEU   3          HD12      LEU   3  21.224  -2.376  -2.998
   20   HD13  LEU   3          HD13      LEU   3  19.688  -1.704  -2.443
   21   HD21  LEU   3          HD21      LEU   3  19.979  -3.097  -0.296
   22   HD22  LEU   3          HD22      LEU   3  21.490  -3.719  -0.961
   23   HD23  LEU   3          HD23      LEU   3  20.220  -4.836  -0.455
   24    H    GLY   4           HN       GLY   4  16.447  -6.509   0.005
   25    HA2  GLY   4           HA2      GLY   4  13.929  -5.336  -0.981
   26    HA3  GLY   4           HA1      GLY   4  14.022  -6.855  -0.102
   27    H    SER   5           HN       SER   5  16.221  -4.943   1.307
   28    HA   SER   5           HA       SER   5  14.503  -4.457   3.575
   29    HB2  SER   5           HB2      SER   5  17.450  -3.866   3.240
   30    HB3  SER   5           HB1      SER   5  16.560  -3.989   4.758
   31    HG   SER   5           HG       SER   5  17.826  -5.904   4.000
   32    H    MET   6           HN       MET   6  13.603  -2.954   1.580
   33    HA   MET   6           HA       MET   6  14.079  -0.240   2.561
   34    HB2  MET   6           HB2      MET   6  13.948  -0.863  -0.395
   35    HB3  MET   6           HB1      MET   6  14.229   0.696   0.350
   36    HG2  MET   6           HG2      MET   6  16.411   0.016   1.080
   37    HG3  MET   6           HG1      MET   6  16.127  -1.629   0.503
   38    HE1  MET   6           HE1      MET   6  14.337  -0.722  -2.028
   39    HE2  MET   6           HE2      MET   6  15.478  -2.063  -2.196
   40    HE3  MET   6           HE3      MET   6  15.500  -0.734  -3.358
   41    HA   PRO   7           HA       PRO   7   9.784  -2.086   1.707
   42    HB2  PRO   7           HB2      PRO   7   9.240  -1.084   4.453
   43    HB3  PRO   7           HB1      PRO   7   8.827  -2.637   3.718
   44    HG2  PRO   7           HG2      PRO   7  10.796  -2.526   5.476
   45    HG3  PRO   7           HG1      PRO   7  11.000  -3.485   3.986
   46    HD2  PRO   7           HD2      PRO   7  11.987  -0.705   4.583
   47    HD3  PRO   7           HD1      PRO   7  12.886  -2.087   3.909
   48    H    GLU   8           HN       GLU   8  10.651   0.990   3.243
   49    HA   GLU   8           HA       GLU   8   8.127   2.178   2.456
   50    HB2  GLU   8           HB2      GLU   8  10.483   3.139   4.025
   51    HB3  GLU   8           HB1      GLU   8   9.342   4.309   3.370
   52    HG2  GLU   8           HG2      GLU   8   7.530   3.312   4.590
   53    HG3  GLU   8           HG1      GLU   8   8.572   1.989   5.129
   54    H    VAL   9           HN       VAL   9  11.129   1.692   1.030
   55    HA   VAL   9           HA       VAL   9  11.095   3.965  -0.713
   56    HB   VAL   9           HB       VAL   9  12.551   1.320  -0.981
   57   HG11  VAL   9          HG11      VAL   9  12.347   2.396  -3.142
   58   HG12  VAL   9          HG12      VAL   9  14.009   2.515  -2.562
   59   HG13  VAL   9          HG13      VAL   9  12.939   3.915  -2.467
   60   HG21  VAL   9          HG21      VAL   9  13.195   2.558   1.015
   61   HG22  VAL   9          HG22      VAL   9  13.489   4.000   0.042
   62   HG23  VAL   9          HG23      VAL   9  14.497   2.570  -0.173
   63    H    ARG  10           HN       ARG  10   9.544   0.902  -0.580
   64    HA   ARG  10           HA       ARG  10   8.456   1.271  -3.289
   65    HB2  ARG  10           HB2      ARG  10   8.051  -1.109  -1.438
   66    HB3  ARG  10           HB1      ARG  10   7.640  -1.001  -3.143
   67    HG2  ARG  10           HG2      ARG  10  10.464  -0.801  -2.139
   68    HG3  ARG  10           HG1      ARG  10   9.702  -2.325  -2.592
   69    HD2  ARG  10           HD2      ARG  10  10.941  -1.585  -4.475
   70    HD3  ARG  10           HD1      ARG  10   9.240  -1.312  -4.845
   71    HE   ARG  10           HE       ARG  10  10.201   1.059  -3.781
   72   HH11  ARG  10          HH11      ARG  10  10.838  -0.978  -6.563
   73   HH12  ARG  10          HH12      ARG  10  11.394   0.336  -7.560
   74   HH21  ARG  10          HH21      ARG  10  10.909   2.795  -5.089
   75   HH22  ARG  10          HH22      ARG  10  11.431   2.488  -6.714
   76    H    PHE  11           HN       PHE  11   7.457   0.539   0.028
   77    HA   PHE  11           HA       PHE  11   4.707   0.682  -0.455
   78    HB2  PHE  11           HB2      PHE  11   6.258   1.018   2.120
   79    HB3  PHE  11           HB1      PHE  11   4.498   0.916   2.035
   80    HD1  PHE  11           HD2      PHE  11   5.236  -1.156  -0.472
   81    HD2  PHE  11           HD1      PHE  11   5.804  -0.950   3.740
   82    HE1  PHE  11           HE2      PHE  11   5.331  -3.610  -0.364
   83    HE2  PHE  11           HE1      PHE  11   5.890  -3.400   3.855
   84    HZ   PHE  11           HZ       PHE  11   5.635  -4.728   1.802
   85    H    GLN  12           HN       GLN  12   6.872   3.131   1.011
   86    HA   GLN  12           HA       GLN  12   4.806   4.920   1.624
   87    HB2  GLN  12           HB2      GLN  12   7.069   5.040   2.615
   88    HB3  GLN  12           HB1      GLN  12   7.694   5.605   1.072
   89    HG2  GLN  12           HG2      GLN  12   6.325   7.598   1.217
   90    HG3  GLN  12           HG1      GLN  12   5.622   7.028   2.729
   91   HE21  GLN  12          HE21      GLN  12   8.999   6.631   1.910
   92   HE22  GLN  12          HE22      GLN  12   9.609   7.740   3.090
   93    H    GLN  13           HN       GLN  13   6.675   4.513  -1.329
   94    HA   GLN  13           HA       GLN  13   5.827   6.909  -2.586
   95    HB2  GLN  13           HB2      GLN  13   6.671   4.284  -3.845
   96    HB3  GLN  13           HB1      GLN  13   6.525   5.819  -4.693
   97    HG2  GLN  13           HG2      GLN  13   8.502   5.052  -2.572
   98    HG3  GLN  13           HG1      GLN  13   8.813   5.549  -4.238
   99   HE21  GLN  13          HE21      GLN  13   7.872   6.605  -1.070
  100   HE22  GLN  13          HE22      GLN  13   8.100   8.290  -1.323
  101    H    GLN  14           HN       GLN  14   4.654   3.578  -2.732
  102    HA   GLN  14           HA       GLN  14   2.319   4.218  -4.209
  103    HB2  GLN  14           HB2      GLN  14   3.246   1.857  -2.642
  104    HB3  GLN  14           HB1      GLN  14   1.568   1.943  -3.150
  105    HG2  GLN  14           HG2      GLN  14   2.671   0.717  -4.811
  106    HG3  GLN  14           HG1      GLN  14   2.429   2.320  -5.497
  107   HE21  GLN  14          HE21      GLN  14   4.660  -0.065  -4.504
  108   HE22  GLN  14          HE22      GLN  14   6.100   0.739  -5.020
  109    H    LEU  15           HN       LEU  15   3.161   4.606  -0.905
  110    HA   LEU  15           HA       LEU  15   0.484   4.630   0.133
  111    HB2  LEU  15           HB2      LEU  15   2.983   5.882   1.282
  112    HB3  LEU  15           HB1      LEU  15   1.453   5.733   2.120
  113    HG   LEU  15           HG       LEU  15   3.453   3.615   1.451
  114   HD11  LEU  15          HD11      LEU  15   3.011   2.984   3.795
  115   HD12  LEU  15          HD12      LEU  15   1.922   4.365   3.925
  116   HD13  LEU  15          HD13      LEU  15   3.640   4.625   3.615
  117   HD21  LEU  15          HD21      LEU  15   1.288   2.842   0.579
  118   HD22  LEU  15          HD22      LEU  15   0.596   3.078   2.183
  119   HD23  LEU  15          HD23      LEU  15   1.871   1.889   1.944
  120    H    GLU  16           HN       GLU  16   2.787   7.073  -0.972
  121    HA   GLU  16           HA       GLU  16   1.102   9.314  -0.644
  122    HB2  GLU  16           HB2      GLU  16   3.192   8.916  -2.793
  123    HB3  GLU  16           HB1      GLU  16   2.607  10.447  -2.156
  124    HG2  GLU  16           HG2      GLU  16   3.601   9.988  -0.015
  125    HG3  GLU  16           HG1      GLU  16   4.082   8.382  -0.549
  126    H    GLN  17           HN       GLN  17   1.391   6.870  -3.089
  127    HA   GLN  17           HA       GLN  17  -0.292   8.025  -5.026
  128    HB2  GLN  17           HB2      GLN  17   1.207   6.181  -5.525
  129    HB3  GLN  17           HB1      GLN  17   0.312   5.156  -4.406
  130    HG2  GLN  17           HG2      GLN  17  -1.521   4.992  -5.819
  131    HG3  GLN  17           HG1      GLN  17  -1.061   6.421  -6.743
  132   HE21  GLN  17          HE21      GLN  17   1.272   4.017  -5.881
  133   HE22  GLN  17          HE22      GLN  17   1.495   3.374  -7.464
  134    H    LEU  18           HN       LEU  18  -0.997   5.607  -2.428
  135    HA   LEU  18           HA       LEU  18  -3.794   5.547  -2.988
  136    HB2  LEU  18           HB2      LEU  18  -2.186   4.841  -0.551
  137    HB3  LEU  18           HB1      LEU  18  -3.919   4.713  -0.582
  138    HG   LEU  18           HG       LEU  18  -2.096   3.232  -2.452
  139   HD11  LEU  18          HD11      LEU  18  -3.332   2.558   0.190
  140   HD12  LEU  18          HD12      LEU  18  -1.635   2.463  -0.290
  141   HD13  LEU  18          HD13      LEU  18  -2.801   1.317  -0.953
  142   HD21  LEU  18          HD21      LEU  18  -4.436   3.614  -3.227
  143   HD22  LEU  18          HD22      LEU  18  -5.001   2.800  -1.766
  144   HD23  LEU  18          HD23      LEU  18  -4.045   1.914  -2.957
  145    H    ASN  19           HN       ASN  19  -1.684   7.458  -1.073
  146    HA   ASN  19           HA       ASN  19  -3.384   8.978   0.457
  147    HB2  ASN  19           HB2      ASN  19  -0.849   9.012   0.359
  148    HB3  ASN  19           HB1      ASN  19  -0.992  10.000  -1.081
  149   HD21  ASN  19          HD21      ASN  19  -1.551  12.134  -0.927
  150   HD22  ASN  19          HD22      ASN  19  -1.639  12.977   0.579
  151    H    SER  20           HN       SER  20  -2.680   9.112  -2.926
  152    HA   SER  20           HA       SER  20  -4.163  11.594  -3.329
  153    HB2  SER  20           HB2      SER  20  -2.018  10.976  -4.582
  154    HB3  SER  20           HB1      SER  20  -2.999   9.827  -5.489
  155    HG   SER  20           HG       SER  20  -3.614  12.589  -5.263
  156    H    MET  21           HN       MET  21  -4.901   8.434  -2.933
  157    HA   MET  21           HA       MET  21  -7.142   8.354  -4.821
  158    HB2  MET  21           HB2      MET  21  -6.221   6.251  -2.856
  159    HB3  MET  21           HB1      MET  21  -7.332   6.031  -4.200
  160    HG2  MET  21           HG2      MET  21  -4.589   7.003  -4.767
  161    HG3  MET  21           HG1      MET  21  -4.822   5.309  -4.355
  162    HE1  MET  21           HE1      MET  21  -7.667   4.691  -5.553
  163    HE2  MET  21           HE2      MET  21  -6.282   3.628  -5.800
  164    HE3  MET  21           HE3      MET  21  -7.269   4.130  -7.178
  165    H    GLY  22           HN       GLY  22  -6.441   9.375  -1.754
  166    HA2  GLY  22           HA2      GLY  22  -8.008  10.313  -0.267
  167    HA3  GLY  22           HA1      GLY  22  -9.253   9.256  -0.929
  168    H    PHE  23           HN       PHE  23  -6.255   7.780  -0.362
  169    HA   PHE  23           HA       PHE  23  -7.241   6.601   2.144
  170    HB2  PHE  23           HB2      PHE  23  -5.524   5.509  -0.063
  171    HB3  PHE  23           HB1      PHE  23  -5.530   4.765   1.532
  172    HD1  PHE  23           HD1      PHE  23  -7.792   3.996   2.451
  173    HD2  PHE  23           HD2      PHE  23  -7.126   4.973  -1.637
  174    HE1  PHE  23           HE1      PHE  23  -9.784   2.705   1.828
  175    HE2  PHE  23           HE2      PHE  23  -9.131   3.684  -2.269
  176    HZ   PHE  23           HZ       PHE  23 -10.476   2.576  -0.540
  177    H    ILE  24           HN       ILE  24  -6.296   7.447   3.842
  178    HA   ILE  24           HA       ILE  24  -3.522   8.411   3.606
  179    HB   ILE  24           HB       ILE  24  -4.550   9.939   5.650
  180   HG12  ILE  24          HG12      ILE  24  -6.863   9.127   4.814
  181   HG13  ILE  24          HG11      ILE  24  -6.640  10.844   5.127
  182   HG21  ILE  24          HG21      ILE  24  -4.350  11.817   4.102
  183   HG22  ILE  24          HG22      ILE  24  -4.293  10.695   2.743
  184   HG23  ILE  24          HG23      ILE  24  -3.005  10.689   3.947
  185   HD11  ILE  24          HD11      ILE  24  -6.526   9.532   2.416
  186   HD12  ILE  24          HD12      ILE  24  -6.362  11.257   2.749
  187   HD13  ILE  24          HD13      ILE  24  -7.892  10.441   3.071
  188    H    ASN  25           HN       ASN  25  -5.629   6.360   5.255
  189    HA   ASN  25           HA       ASN  25  -4.099   6.230   7.668
  190    HB2  ASN  25           HB2      ASN  25  -6.443   5.220   7.410
  191    HB3  ASN  25           HB1      ASN  25  -5.690   3.950   6.471
  192   HD21  ASN  25          HD21      ASN  25  -6.524   2.540   8.132
  193   HD22  ASN  25          HD22      ASN  25  -5.628   2.339   9.594
  194    H    ARG  26           HN       ARG  26  -1.988   6.285   6.841
  195    HA   ARG  26           HA       ARG  26  -1.103   4.616   4.779
  196    HB2  ARG  26           HB2      ARG  26   0.243   6.289   6.825
  197    HB3  ARG  26           HB1      ARG  26   1.218   5.121   5.935
  198    HG2  ARG  26           HG2      ARG  26   0.356   6.116   3.824
  199    HG3  ARG  26           HG1      ARG  26  -0.452   7.349   4.788
  200    HD2  ARG  26           HD2      ARG  26   1.611   8.246   5.532
  201    HD3  ARG  26           HD1      ARG  26   2.522   6.854   4.917
  202    HE   ARG  26           HE       ARG  26   2.475   7.786   2.823
  203   HH11  ARG  26          HH11      ARG  26   0.246   9.563   4.867
  204   HH12  ARG  26          HH12      ARG  26  -0.114  10.744   3.640
  205   HH21  ARG  26          HH21      ARG  26   2.010   9.370   1.222
  206   HH22  ARG  26          HH22      ARG  26   0.900  10.650   1.599
  207    H    GLU  27           HN       GLU  27  -1.413   4.086   8.201
  208    HA   GLU  27           HA       GLU  27  -0.126   1.663   8.507
  209    HB2  GLU  27           HB2      GLU  27  -2.878   2.418   9.508
  210    HB3  GLU  27           HB1      GLU  27  -1.892   1.104  10.135
  211    HG2  GLU  27           HG2      GLU  27  -0.238   2.672  10.926
  212    HG3  GLU  27           HG1      GLU  27  -1.123   4.010  10.196
  213    H    ALA  28           HN       ALA  28  -3.361   2.295   7.181
  214    HA   ALA  28           HA       ALA  28  -3.900  -0.425   6.603
  215    HB1  ALA  28           HB1      ALA  28  -5.850   0.440   5.368
  216    HB2  ALA  28           HB2      ALA  28  -5.255   2.080   5.638
  217    HB3  ALA  28           HB3      ALA  28  -5.727   1.078   7.008
  218    H    ASN  29           HN       ASN  29  -2.997   2.411   4.670
  219    HA   ASN  29           HA       ASN  29  -2.946   1.331   2.153
  220    HB2  ASN  29           HB2      ASN  29  -0.956   3.296   3.309
  221    HB3  ASN  29           HB1      ASN  29  -1.192   2.980   1.609
  222   HD21  ASN  29          HD21      ASN  29  -1.492   5.331   1.655
  223   HD22  ASN  29          HD22      ASN  29  -3.088   5.944   1.921
  224    H    LEU  30           HN       LEU  30  -0.086   1.450   4.350
  225    HA   LEU  30           HA       LEU  30   1.365  -0.162   2.494
  226    HB2  LEU  30           HB2      LEU  30   3.168  -0.216   4.236
  227    HB3  LEU  30           HB1      LEU  30   2.722   1.356   3.619
  228    HG   LEU  30           HG       LEU  30   1.403   1.742   5.706
  229   HD11  LEU  30          HD11      LEU  30   1.089  -0.613   6.364
  230   HD12  LEU  30          HD12      LEU  30   1.831   0.338   7.649
  231   HD13  LEU  30          HD13      LEU  30   2.818  -0.750   6.671
  232   HD21  LEU  30          HD21      LEU  30   4.341   1.146   6.009
  233   HD22  LEU  30          HD22      LEU  30   3.385   2.168   7.083
  234   HD23  LEU  30          HD23      LEU  30   3.632   2.642   5.402
  235    H    GLN  31           HN       GLN  31  -0.569  -0.932   5.309
  236    HA   GLN  31           HA       GLN  31   0.388  -3.558   5.710
  237    HB2  GLN  31           HB2      GLN  31  -2.279  -2.262   6.087
  238    HB3  GLN  31           HB1      GLN  31  -2.139  -4.001   6.240
  239    HG2  GLN  31           HG2      GLN  31  -0.526  -2.022   7.825
  240    HG3  GLN  31           HG1      GLN  31  -2.016  -2.785   8.391
  241   HE21  GLN  31          HE21      GLN  31   1.337  -3.228   7.674
  242   HE22  GLN  31          HE22      GLN  31   1.506  -4.787   8.404
  243    H    ALA  32           HN       ALA  32  -1.651  -2.094   3.353
  244    HA   ALA  32           HA       ALA  32  -2.584  -4.569   2.195
  245    HB1  ALA  32           HB1      ALA  32  -2.645  -1.766   1.066
  246    HB2  ALA  32           HB2      ALA  32  -3.917  -2.498   2.044
  247    HB3  ALA  32           HB3      ALA  32  -3.541  -3.156   0.451
  248    H    LEU  33           HN       LEU  33   0.008  -2.302   1.791
  249    HA   LEU  33           HA       LEU  33   0.968  -3.488  -0.632
  250    HB2  LEU  33           HB2      LEU  33   1.876  -1.309   1.162
  251    HB3  LEU  33           HB1      LEU  33   3.064  -2.063   0.120
  252    HG   LEU  33           HG       LEU  33   1.031  -1.569  -1.626
  253   HD11  LEU  33          HD11      LEU  33   0.394   0.783  -1.288
  254   HD12  LEU  33          HD12      LEU  33   1.110   0.717   0.320
  255   HD13  LEU  33          HD13      LEU  33  -0.278  -0.297  -0.067
  256   HD21  LEU  33          HD21      LEU  33   2.442   0.201  -2.457
  257   HD22  LEU  33          HD22      LEU  33   3.415  -1.178  -1.945
  258   HD23  LEU  33          HD23      LEU  33   3.304   0.257  -0.922
  259    H    ILE  34           HN       ILE  34   1.411  -4.032   2.774
  260    HA   ILE  34           HA       ILE  34   3.828  -5.532   2.476
  261    HB   ILE  34           HB       ILE  34   1.769  -5.759   4.677
  262   HG12  ILE  34          HG12      ILE  34   4.123  -3.941   4.281
  263   HG13  ILE  34          HG11      ILE  34   2.485  -3.536   4.757
  264   HG21  ILE  34          HG21      ILE  34   3.624  -6.712   5.994
  265   HG22  ILE  34          HG22      ILE  34   4.647  -6.659   4.558
  266   HG23  ILE  34          HG23      ILE  34   3.223  -7.696   4.587
  267   HD11  ILE  34          HD11      ILE  34   4.525  -4.937   6.462
  268   HD12  ILE  34          HD12      ILE  34   2.861  -4.589   6.933
  269   HD13  ILE  34          HD13      ILE  34   3.984  -3.266   6.617
  270    H    ALA  35           HN       ALA  35   0.386  -6.285   2.447
  271    HA   ALA  35           HA       ALA  35   0.793  -9.107   2.216
  272    HB1  ALA  35           HB1      ALA  35  -1.660  -7.427   1.708
  273    HB2  ALA  35           HB2      ALA  35  -1.225  -8.212   3.229
  274    HB3  ALA  35           HB3      ALA  35  -1.623  -9.188   1.813
  275    H    THR  36           HN       THR  36   0.718  -6.440  -0.011
  276    HA   THR  36           HA       THR  36   0.452  -8.281  -2.285
  277    HB   THR  36           HB       THR  36   0.274  -6.209  -3.662
  278    HG1  THR  36           HG1      THR  36  -0.191  -4.699  -1.352
  279   HG21  THR  36          HG21      THR  36  -1.675  -6.443  -1.364
  280   HG22  THR  36          HG22      THR  36  -1.746  -7.325  -2.889
  281   HG23  THR  36          HG23      THR  36  -1.974  -5.577  -2.872
  282    H    GLY  37           HN       GLY  37   2.804  -6.433  -0.585
  283    HA2  GLY  37           HA2      GLY  37   5.104  -6.457  -0.801
  284    HA3  GLY  37           HA1      GLY  37   4.922  -7.510  -2.201
  285    H    GLY  38           HN       GLY  38   3.257  -4.409  -2.063
  286    HA2  GLY  38           HA2      GLY  38   4.201  -2.315  -2.769
  287    HA3  GLY  38           HA1      GLY  38   5.417  -3.215  -3.672
  288    H    ASP  39           HN       ASP  39   2.345  -4.560  -3.916
  289    HA   ASP  39           HA       ASP  39   2.113  -3.477  -6.621
  290    HB2  ASP  39           HB2      ASP  39   2.085  -5.977  -6.452
  291    HB3  ASP  39           HB1      ASP  39   0.622  -5.858  -5.465
  292    H    ILE  40           HN       ILE  40   1.280  -1.582  -6.171
  293    HA   ILE  40           HA       ILE  40  -0.496  -1.084  -4.073
  294    HB   ILE  40           HB       ILE  40   1.142   0.428  -5.253
  295   HG12  ILE  40          HG12      ILE  40  -0.870   0.778  -3.526
  296   HG13  ILE  40          HG11      ILE  40   0.214   2.047  -4.026
  297   HG21  ILE  40          HG21      ILE  40   0.147   1.919  -6.956
  298   HG22  ILE  40          HG22      ILE  40  -1.255   0.855  -7.032
  299   HG23  ILE  40          HG23      ILE  40   0.329   0.256  -7.518
  300   HD11  ILE  40          HD11      ILE  40  -1.382   2.873  -5.623
  301   HD12  ILE  40          HD12      ILE  40  -2.133   2.751  -4.031
  302   HD13  ILE  40          HD13      ILE  40  -2.463   1.529  -5.261
  303    H    ASN  41           HN       ASN  41  -1.002  -2.015  -7.355
  304    HA   ASN  41           HA       ASN  41  -3.617  -1.113  -7.711
  305    HB2  ASN  41           HB2      ASN  41  -2.633  -3.746  -8.813
  306    HB3  ASN  41           HB1      ASN  41  -3.781  -2.628  -9.536
  307   HD21  ASN  41          HD21      ASN  41  -0.484  -3.478  -9.113
  308   HD22  ASN  41          HD22      ASN  41   0.183  -2.309 -10.205
  309    H    ALA  42           HN       ALA  42  -2.371  -4.272  -6.660
  310    HA   ALA  42           HA       ALA  42  -4.903  -5.299  -5.912
  311    HB1  ALA  42           HB1      ALA  42  -2.170  -6.154  -4.983
  312    HB2  ALA  42           HB2      ALA  42  -2.967  -6.709  -6.457
  313    HB3  ALA  42           HB3      ALA  42  -3.658  -7.099  -4.880
  314    H    ALA  43           HN       ALA  43  -2.393  -3.489  -4.219
  315    HA   ALA  43           HA       ALA  43  -3.327  -3.638  -1.618
  316    HB1  ALA  43           HB1      ALA  43  -2.239  -1.188  -2.994
  317    HB2  ALA  43           HB2      ALA  43  -1.275  -2.467  -2.258
  318    HB3  ALA  43           HB3      ALA  43  -2.312  -1.455  -1.253
  319    H    ILE  44           HN       ILE  44  -4.419  -1.437  -4.226
  320    HA   ILE  44           HA       ILE  44  -6.441  -0.182  -2.659
  321    HB   ILE  44           HB       ILE  44  -6.740  -0.455  -5.635
  322   HG12  ILE  44          HG12      ILE  44  -4.887   1.542  -4.331
  323   HG13  ILE  44          HG11      ILE  44  -4.315   0.046  -5.063
  324   HG21  ILE  44          HG21      ILE  44  -7.582   1.823  -5.417
  325   HG22  ILE  44          HG22      ILE  44  -7.155   1.828  -3.705
  326   HG23  ILE  44          HG23      ILE  44  -8.419   0.746  -4.293
  327   HD11  ILE  44          HD11      ILE  44  -5.235   0.755  -7.211
  328   HD12  ILE  44          HD12      ILE  44  -4.060   1.912  -6.583
  329   HD13  ILE  44          HD13      ILE  44  -5.788   2.259  -6.473
  330    H    GLU  45           HN       GLU  45  -6.362  -2.996  -4.769
  331    HA   GLU  45           HA       GLU  45  -9.140  -3.506  -4.795
  332    HB2  GLU  45           HB2      GLU  45  -6.842  -5.438  -5.147
  333    HB3  GLU  45           HB1      GLU  45  -8.525  -5.783  -5.522
  334    HG2  GLU  45           HG2      GLU  45  -8.474  -3.911  -7.160
  335    HG3  GLU  45           HG1      GLU  45  -6.741  -3.767  -6.864
  336    H    ARG  46           HN       ARG  46  -6.701  -4.046  -2.427
  337    HA   ARG  46           HA       ARG  46  -8.341  -5.896  -0.900
  338    HB2  ARG  46           HB2      ARG  46  -5.709  -4.554  -0.274
  339    HB3  ARG  46           HB1      ARG  46  -6.533  -5.655   0.819
  340    HG2  ARG  46           HG2      ARG  46  -6.380  -7.424  -0.887
  341    HG3  ARG  46           HG1      ARG  46  -5.476  -6.312  -1.920
  342    HD2  ARG  46           HD2      ARG  46  -3.756  -6.114  -0.207
  343    HD3  ARG  46           HD1      ARG  46  -4.659  -7.197   0.839
  344    HE   ARG  46           HE       ARG  46  -3.469  -7.993  -1.745
  345   HH11  ARG  46          HH11      ARG  46  -4.578  -8.901   1.463
  346   HH12  ARG  46          HH12      ARG  46  -3.696 -10.390   1.485
  347   HH21  ARG  46          HH21      ARG  46  -2.304  -9.950  -1.710
  348   HH22  ARG  46          HH22      ARG  46  -2.387 -10.969  -0.305
  349    H    LEU  47           HN       LEU  47  -7.304  -2.508  -0.701
  350    HA   LEU  47           HA       LEU  47  -8.564  -1.874   1.720
  351    HB2  LEU  47           HB2      LEU  47  -8.018  -0.148  -0.691
  352    HB3  LEU  47           HB1      LEU  47  -8.538   0.469   0.864
  353    HG   LEU  47           HG       LEU  47  -5.970  -1.049   0.400
  354   HD11  LEU  47          HD11      LEU  47  -6.448   1.906   0.719
  355   HD12  LEU  47          HD12      LEU  47  -5.926   1.085  -0.752
  356   HD13  LEU  47          HD13      LEU  47  -4.872   1.121   0.663
  357   HD21  LEU  47          HD21      LEU  47  -5.373  -0.253   2.633
  358   HD22  LEU  47          HD22      LEU  47  -6.837  -1.239   2.683
  359   HD23  LEU  47          HD23      LEU  47  -6.952   0.519   2.785
  360    H    LEU  48           HN       LEU  48  -9.745  -1.550  -1.613
  361    HA   LEU  48           HA       LEU  48 -12.421  -0.917  -0.841
  362    HB2  LEU  48           HB2      LEU  48 -11.061  -1.673  -3.390
  363    HB3  LEU  48           HB1      LEU  48 -12.804  -1.818  -3.298
  364    HG   LEU  48           HG       LEU  48 -12.203   0.294  -4.313
  365   HD11  LEU  48          HD11      LEU  48 -13.521   1.761  -2.936
  366   HD12  LEU  48          HD12      LEU  48 -13.243   0.744  -1.524
  367   HD13  LEU  48          HD13      LEU  48 -14.202   0.133  -2.871
  368   HD21  LEU  48          HD21      LEU  48 -10.985   2.014  -3.069
  369   HD22  LEU  48          HD22      LEU  48  -9.992   0.578  -3.318
  370   HD23  LEU  48          HD23      LEU  48 -10.729   0.876  -1.745
  371    H    GLY  49           HN       GLY  49 -10.607  -3.819  -1.463
  372    HA2  GLY  49           HA2      GLY  49 -11.111  -6.008  -1.044
  373    HA3  GLY  49           HA1      GLY  49 -12.516  -5.466  -0.137
  374    H    SER  50           HN       SER  50 -11.251  -5.882  -3.375
  375    HA   SER  50           HA       SER  50 -13.264  -5.459  -5.059
  376    HB2  SER  50           HB2      SER  50 -11.521  -7.937  -5.095
  377    HB3  SER  50           HB1      SER  50 -12.398  -7.282  -6.478
  378    HG   SER  50           HG       SER  50 -10.771  -5.998  -6.780
  379    H    GLN  51           HN       GLN  51 -15.311  -5.732  -4.542
  380    HA   GLN  51           HA       GLN  51 -16.223  -8.393  -3.741
  381    HB2  GLN  51           HB2      GLN  51 -18.298  -6.982  -3.003
  382    HB3  GLN  51           HB1      GLN  51 -16.861  -7.012  -1.994
  383    HG2  GLN  51           HG2      GLN  51 -16.150  -4.872  -3.140
  384    HG3  GLN  51           HG1      GLN  51 -17.767  -4.826  -3.850
  385   HE21  GLN  51          HE21      GLN  51 -15.885  -4.494  -0.950
  386   HE22  GLN  51          HE22      GLN  51 -17.138  -3.813   0.030
  387    H    LEU  52           HN       LEU  52 -16.370  -9.200  -5.788
  388    HA   LEU  52           HA       LEU  52 -18.409  -7.976  -7.518
  389    HB2  LEU  52           HB2      LEU  52 -15.872  -9.354  -8.413
  390    HB3  LEU  52           HB1      LEU  52 -17.139  -8.778  -9.471
  391    HG   LEU  52           HG       LEU  52 -16.612  -6.458  -8.362
  392   HD11  LEU  52          HD11      LEU  52 -14.255  -6.187  -7.799
  393   HD12  LEU  52          HD12      LEU  52 -14.003  -7.921  -7.990
  394   HD13  LEU  52          HD13      LEU  52 -15.042  -7.320  -6.700
  395   HD21  LEU  52          HD21      LEU  52 -16.371  -6.962 -10.725
  396   HD22  LEU  52          HD22      LEU  52 -14.823  -7.749 -10.415
  397   HD23  LEU  52          HD23      LEU  52 -15.001  -6.013 -10.152
  398    H    SER  53           HN       SER  53 -19.948  -9.333  -6.636
  399    HA   SER  53           HA       SER  53 -21.228 -11.179  -6.381
  400    HB2  SER  53           HB2      SER  53 -19.525 -12.348  -8.602
  401    HB3  SER  53           HB1      SER  53 -21.109 -12.925  -8.084
  402    HG   SER  53           HG       SER  53 -21.210 -10.282  -8.655
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  20.644  -8.309  -8.567
    2    H2   GLY   1           HT2      GLY   1  19.098  -7.621  -8.663
    3    H3   GLY   1           HT3      GLY   1  19.274  -9.263  -8.269
    4    HA2  GLY   1           HA1      GLY   1  20.364  -8.689  -6.200
    5    HA3  GLY   1           HA2      GLY   1  20.197  -6.986  -6.607
    6    HA   PRO   2           HA       PRO   2  15.979  -8.849  -5.213
    7    HB2  PRO   2           HB2      PRO   2  16.222 -10.382  -3.001
    8    HB3  PRO   2           HB1      PRO   2  16.288 -11.046  -4.633
    9    HG2  PRO   2           HG2      PRO   2  18.499 -10.481  -2.725
   10    HG3  PRO   2           HG1      PRO   2  18.334 -11.802  -3.893
   11    HD2  PRO   2           HD2      PRO   2  19.881  -9.534  -4.258
   12    HD3  PRO   2           HD1      PRO   2  19.290 -10.583  -5.560
   13    H    LEU   3           HN       LEU   3  14.973  -7.207  -4.235
   14    HA   LEU   3           HA       LEU   3  16.091  -6.274  -1.680
   15    HB2  LEU   3           HB2      LEU   3  15.142  -4.130  -2.020
   16    HB3  LEU   3           HB1      LEU   3  15.966  -4.557  -3.504
   17    HG   LEU   3           HG       LEU   3  13.066  -5.171  -3.386
   18   HD11  LEU   3          HD11      LEU   3  13.160  -2.981  -2.309
   19   HD12  LEU   3          HD12      LEU   3  12.460  -2.864  -3.927
   20   HD13  LEU   3          HD13      LEU   3  14.126  -2.358  -3.648
   21   HD21  LEU   3          HD21      LEU   3  13.199  -4.401  -5.717
   22   HD22  LEU   3          HD22      LEU   3  14.376  -5.668  -5.377
   23   HD23  LEU   3          HD23      LEU   3  14.897  -3.987  -5.478
   24    H    GLY   4           HN       GLY   4  15.084  -7.213  -0.078
   25    HA2  GLY   4           HA2      GLY   4  12.141  -7.445  -0.253
   26    HA3  GLY   4           HA1      GLY   4  13.149  -8.639   0.551
   27    H    SER   5           HN       SER   5  14.791  -6.149   1.446
   28    HA   SER   5           HA       SER   5  13.046  -5.578   3.739
   29    HB2  SER   5           HB2      SER   5  16.075  -5.710   3.718
   30    HB3  SER   5           HB1      SER   5  15.054  -5.428   5.125
   31    HG   SER   5           HG       SER   5  14.291  -7.504   4.994
   32    H    MET   6           HN       MET   6  12.710  -4.028   1.614
   33    HA   MET   6           HA       MET   6  13.605  -1.463   2.701
   34    HB2  MET   6           HB2      MET   6  13.445  -2.125  -0.253
   35    HB3  MET   6           HB1      MET   6  13.831  -0.553   0.432
   36    HG2  MET   6           HG2      MET   6  15.849  -1.551   1.449
   37    HG3  MET   6           HG1      MET   6  15.473  -3.063   0.622
   38    HE1  MET   6           HE1      MET   6  16.476   0.712   0.182
   39    HE2  MET   6           HE2      MET   6  14.912   0.569  -0.623
   40    HE3  MET   6           HE3      MET   6  16.368   0.881  -1.573
   41    HA   PRO   7           HA       PRO   7   9.061  -2.598   1.924
   42    HB2  PRO   7           HB2      PRO   7   8.684  -1.504   4.648
   43    HB3  PRO   7           HB1      PRO   7   8.113  -3.028   3.959
   44    HG2  PRO   7           HG2      PRO   7  10.106  -3.013   5.721
   45    HG3  PRO   7           HG1      PRO   7  10.144  -4.105   4.322
   46    HD2  PRO   7           HD2      PRO   7  11.550  -1.484   4.715
   47    HD3  PRO   7           HD1      PRO   7  12.187  -3.013   4.066
   48    H    GLU   8           HN       GLU   8   9.954   0.260   3.875
   49    HA   GLU   8           HA       GLU   8   7.640   1.638   2.822
   50    HB2  GLU   8           HB2      GLU   8   8.528   1.725   5.254
   51    HB3  GLU   8           HB1      GLU   8   9.687   2.892   4.629
   52    HG2  GLU   8           HG2      GLU   8   7.886   4.335   3.894
   53    HG3  GLU   8           HG1      GLU   8   6.695   3.146   4.416
   54    H    VAL   9           HN       VAL   9  10.609   1.065   1.685
   55    HA   VAL   9           HA       VAL   9  11.188   3.630   0.516
   56    HB   VAL   9           HB       VAL   9  12.226   0.861  -0.152
   57   HG11  VAL   9          HG11      VAL   9  12.433   2.384  -2.056
   58   HG12  VAL   9          HG12      VAL   9  14.009   1.997  -1.367
   59   HG13  VAL   9          HG13      VAL   9  13.256   3.558  -1.027
   60   HG21  VAL   9          HG21      VAL   9  12.817   1.560   2.096
   61   HG22  VAL   9          HG22      VAL   9  13.430   3.092   1.478
   62   HG23  VAL   9          HG23      VAL   9  14.239   1.585   1.054
   63    H    ARG  10           HN       ARG  10   9.455   0.705  -0.328
   64    HA   ARG  10           HA       ARG  10   8.692   1.859  -2.912
   65    HB2  ARG  10           HB2      ARG  10   8.138  -0.914  -1.810
   66    HB3  ARG  10           HB1      ARG  10   7.836  -0.358  -3.457
   67    HG2  ARG  10           HG2      ARG  10  10.541  -0.553  -2.138
   68    HG3  ARG  10           HG1      ARG  10   9.876  -1.700  -3.306
   69    HD2  ARG  10           HD2      ARG  10   9.785   0.040  -5.002
   70    HD3  ARG  10           HD1      ARG  10  10.348   1.231  -3.831
   71    HE   ARG  10           HE       ARG  10  12.132  -0.998  -4.227
   72   HH11  ARG  10          HH11      ARG  10  11.233   2.219  -5.254
   73   HH12  ARG  10          HH12      ARG  10  12.775   2.564  -5.979
   74   HH21  ARG  10          HH21      ARG  10  14.176  -0.550  -5.185
   75   HH22  ARG  10          HH22      ARG  10  14.433   0.984  -5.949
   76    H    PHE  11           HN       PHE  11   7.410   0.688   0.133
   77    HA   PHE  11           HA       PHE  11   4.685   0.857  -0.498
   78    HB2  PHE  11           HB2      PHE  11   6.080   1.106   2.169
   79    HB3  PHE  11           HB1      PHE  11   4.333   1.009   1.976
   80    HD1  PHE  11           HD2      PHE  11   5.309  -0.993  -0.547
   81    HD2  PHE  11           HD1      PHE  11   5.457  -0.887   3.702
   82    HE1  PHE  11           HE2      PHE  11   5.442  -3.447  -0.495
   83    HE2  PHE  11           HE1      PHE  11   5.595  -3.339   3.761
   84    HZ   PHE  11           HZ       PHE  11   5.574  -4.619   1.662
   85    H    GLN  12           HN       GLN  12   6.783   3.205   1.200
   86    HA   GLN  12           HA       GLN  12   4.811   5.087   1.704
   87    HB2  GLN  12           HB2      GLN  12   7.085   5.097   2.696
   88    HB3  GLN  12           HB1      GLN  12   7.724   5.658   1.158
   89    HG2  GLN  12           HG2      GLN  12   6.282   7.668   1.354
   90    HG3  GLN  12           HG1      GLN  12   5.800   7.116   2.954
   91   HE21  GLN  12          HE21      GLN  12   8.461   6.057   3.551
   92   HE22  GLN  12          HE22      GLN  12   9.444   7.432   3.895
   93    H    GLN  13           HN       GLN  13   6.736   4.588  -1.211
   94    HA   GLN  13           HA       GLN  13   6.027   7.007  -2.498
   95    HB2  GLN  13           HB2      GLN  13   6.759   4.349  -3.754
   96    HB3  GLN  13           HB1      GLN  13   6.757   5.908  -4.567
   97    HG2  GLN  13           HG2      GLN  13   8.588   4.978  -2.378
   98    HG3  GLN  13           HG1      GLN  13   9.003   5.420  -4.035
   99   HE21  GLN  13          HE21      GLN  13   7.989   6.615  -0.925
  100   HE22  GLN  13          HE22      GLN  13   8.401   8.261  -1.185
  101    H    GLN  14           HN       GLN  14   4.760   3.711  -2.733
  102    HA   GLN  14           HA       GLN  14   2.480   4.481  -4.243
  103    HB2  GLN  14           HB2      GLN  14   3.239   2.031  -2.720
  104    HB3  GLN  14           HB1      GLN  14   1.576   2.235  -3.250
  105    HG2  GLN  14           HG2      GLN  14   2.499   1.034  -4.984
  106    HG3  GLN  14           HG1      GLN  14   2.623   2.691  -5.572
  107   HE21  GLN  14          HE21      GLN  14   4.308  -0.090  -4.461
  108   HE22  GLN  14          HE22      GLN  14   5.900   0.437  -4.864
  109    H    LEU  15           HN       LEU  15   3.274   4.837  -0.922
  110    HA   LEU  15           HA       LEU  15   0.557   4.760   0.031
  111    HB2  LEU  15           HB2      LEU  15   3.046   5.850   1.333
  112    HB3  LEU  15           HB1      LEU  15   1.476   5.776   2.107
  113    HG   LEU  15           HG       LEU  15   3.347   3.559   1.418
  114   HD11  LEU  15          HD11      LEU  15   1.751   4.281   3.861
  115   HD12  LEU  15          HD12      LEU  15   3.489   4.486   3.623
  116   HD13  LEU  15          HD13      LEU  15   2.794   2.863   3.709
  117   HD21  LEU  15          HD21      LEU  15   1.259   2.882   0.400
  118   HD22  LEU  15          HD22      LEU  15   0.393   3.244   1.890
  119   HD23  LEU  15          HD23      LEU  15   1.571   1.933   1.856
  120    H    GLU  16           HN       GLU  16   2.846   7.226  -0.960
  121    HA   GLU  16           HA       GLU  16   1.079   9.417  -0.497
  122    HB2  GLU  16           HB2      GLU  16   3.369   9.252  -2.467
  123    HB3  GLU  16           HB1      GLU  16   2.649  10.718  -1.808
  124    HG2  GLU  16           HG2      GLU  16   3.375  10.007   0.441
  125    HG3  GLU  16           HG1      GLU  16   4.188   8.632  -0.300
  126    H    GLN  17           HN       GLN  17   1.517   7.078  -2.993
  127    HA   GLN  17           HA       GLN  17  -0.046   8.360  -4.987
  128    HB2  GLN  17           HB2      GLN  17   1.537   6.459  -5.354
  129    HB3  GLN  17           HB1      GLN  17   0.362   5.421  -4.554
  130    HG2  GLN  17           HG2      GLN  17  -1.221   5.730  -6.284
  131    HG3  GLN  17           HG1      GLN  17  -0.296   7.051  -6.993
  132   HE21  GLN  17          HE21      GLN  17   1.149   4.087  -5.825
  133   HE22  GLN  17          HE22      GLN  17   1.634   3.493  -7.371
  134    H    LEU  18           HN       LEU  18  -0.829   5.925  -2.470
  135    HA   LEU  18           HA       LEU  18  -3.625   5.832  -3.115
  136    HB2  LEU  18           HB2      LEU  18  -2.092   5.090  -0.630
  137    HB3  LEU  18           HB1      LEU  18  -3.825   4.953  -0.735
  138    HG   LEU  18           HG       LEU  18  -1.923   3.472  -2.540
  139   HD11  LEU  18          HD11      LEU  18  -2.509   1.560  -1.075
  140   HD12  LEU  18          HD12      LEU  18  -3.324   2.695   0.008
  141   HD13  LEU  18          HD13      LEU  18  -1.582   2.814  -0.252
  142   HD21  LEU  18          HD21      LEU  18  -4.840   3.018  -1.913
  143   HD22  LEU  18          HD22      LEU  18  -3.851   2.138  -3.090
  144   HD23  LEU  18          HD23      LEU  18  -4.258   3.838  -3.366
  145    H    ASN  19           HN       ASN  19  -1.552   7.589  -1.014
  146    HA   ASN  19           HA       ASN  19  -3.227   9.136   0.510
  147    HB2  ASN  19           HB2      ASN  19  -0.671   9.048   0.371
  148    HB3  ASN  19           HB1      ASN  19  -0.813  10.177  -0.965
  149   HD21  ASN  19          HD21      ASN  19  -1.292  12.301  -0.578
  150   HD22  ASN  19          HD22      ASN  19  -1.293  12.983   1.018
  151    H    SER  20           HN       SER  20  -2.436   9.361  -2.841
  152    HA   SER  20           HA       SER  20  -3.808  11.900  -3.221
  153    HB2  SER  20           HB2      SER  20  -1.697  11.357  -4.448
  154    HB3  SER  20           HB1      SER  20  -2.565  10.088  -5.307
  155    HG   SER  20           HG       SER  20  -4.005  11.790  -6.047
  156    H    MET  21           HN       MET  21  -4.617   8.668  -3.113
  157    HA   MET  21           HA       MET  21  -6.790   8.771  -5.052
  158    HB2  MET  21           HB2      MET  21  -5.905   6.594  -3.151
  159    HB3  MET  21           HB1      MET  21  -7.130   6.409  -4.392
  160    HG2  MET  21           HG2      MET  21  -4.687   7.430  -5.505
  161    HG3  MET  21           HG1      MET  21  -4.394   5.948  -4.603
  162    HE1  MET  21           HE1      MET  21  -5.668   3.636  -5.127
  163    HE2  MET  21           HE2      MET  21  -6.921   3.488  -6.357
  164    HE3  MET  21           HE3      MET  21  -7.201   4.487  -4.929
  165    H    GLY  22           HN       GLY  22  -6.231   9.542  -1.848
  166    HA2  GLY  22           HA2      GLY  22  -7.917  10.487  -0.448
  167    HA3  GLY  22           HA1      GLY  22  -9.098   9.421  -1.204
  168    H    PHE  23           HN       PHE  23  -6.167   7.905  -0.572
  169    HA   PHE  23           HA       PHE  23  -7.251   6.709   1.882
  170    HB2  PHE  23           HB2      PHE  23  -5.630   5.590  -0.371
  171    HB3  PHE  23           HB1      PHE  23  -5.529   4.840   1.217
  172    HD1  PHE  23           HD1      PHE  23  -7.618   3.927   2.251
  173    HD2  PHE  23           HD2      PHE  23  -7.463   5.262  -1.786
  174    HE1  PHE  23           HE1      PHE  23  -9.663   2.659   1.759
  175    HE2  PHE  23           HE2      PHE  23  -9.510   3.992  -2.289
  176    HZ   PHE  23           HZ       PHE  23 -10.651   2.744  -0.485
  177    H    ILE  24           HN       ILE  24  -6.336   7.544   3.604
  178    HA   ILE  24           HA       ILE  24  -3.469   8.172   3.514
  179    HB   ILE  24           HB       ILE  24  -4.126   9.992   5.292
  180   HG12  ILE  24          HG12      ILE  24  -6.608   9.274   5.091
  181   HG13  ILE  24          HG11      ILE  24  -6.235  10.996   5.101
  182   HG21  ILE  24          HG21      ILE  24  -4.520  10.379   2.336
  183   HG22  ILE  24          HG22      ILE  24  -2.985  10.438   3.202
  184   HG23  ILE  24          HG23      ILE  24  -4.218  11.664   3.505
  185   HD11  ILE  24          HD11      ILE  24  -7.928  10.389   3.419
  186   HD12  ILE  24          HD12      ILE  24  -6.740   9.355   2.622
  187   HD13  ILE  24          HD13      ILE  24  -6.482  11.100   2.698
  188    H    ASN  25           HN       ASN  25  -5.618   6.174   4.823
  189    HA   ASN  25           HA       ASN  25  -4.476   5.973   7.442
  190    HB2  ASN  25           HB2      ASN  25  -5.357   3.459   7.028
  191    HB3  ASN  25           HB1      ASN  25  -6.424   4.738   7.563
  192   HD21  ASN  25          HD21      ASN  25  -5.203   3.124   4.701
  193   HD22  ASN  25          HD22      ASN  25  -6.641   3.295   3.760
  194    H    ARG  26           HN       ARG  26  -2.302   6.219   6.757
  195    HA   ARG  26           HA       ARG  26  -0.826   4.733   4.998
  196    HB2  ARG  26           HB2      ARG  26  -0.172   5.837   7.710
  197    HB3  ARG  26           HB1      ARG  26   1.060   5.031   6.744
  198    HG2  ARG  26           HG2      ARG  26  -0.523   7.451   5.912
  199    HG3  ARG  26           HG1      ARG  26   1.141   7.462   6.506
  200    HD2  ARG  26           HD2      ARG  26   1.944   6.371   4.604
  201    HD3  ARG  26           HD1      ARG  26   0.344   5.788   4.160
  202    HE   ARG  26           HE       ARG  26  -0.229   7.993   3.450
  203   HH11  ARG  26          HH11      ARG  26   3.221   7.641   4.134
  204   HH12  ARG  26          HH12      ARG  26   3.655   8.997   3.136
  205   HH21  ARG  26          HH21      ARG  26   0.372   9.710   2.129
  206   HH22  ARG  26          HH22      ARG  26   2.039  10.181   2.010
  207    H    GLU  27           HN       GLU  27  -1.791   3.920   8.257
  208    HA   GLU  27           HA       GLU  27  -0.692   1.471   8.719
  209    HB2  GLU  27           HB2      GLU  27  -3.531   2.393   9.163
  210    HB3  GLU  27           HB1      GLU  27  -2.825   0.973   9.914
  211    HG2  GLU  27           HG2      GLU  27  -1.358   2.248  11.212
  212    HG3  GLU  27           HG1      GLU  27  -1.580   3.676  10.209
  213    H    ALA  28           HN       ALA  28  -3.847   1.937   7.083
  214    HA   ALA  28           HA       ALA  28  -3.960  -0.820   6.395
  215    HB1  ALA  28           HB1      ALA  28  -6.038  -0.277   5.238
  216    HB2  ALA  28           HB2      ALA  28  -5.713   1.440   5.452
  217    HB3  ALA  28           HB3      ALA  28  -6.001   0.421   6.856
  218    H    ASN  29           HN       ASN  29  -3.232   2.168   4.627
  219    HA   ASN  29           HA       ASN  29  -3.025   1.273   2.054
  220    HB2  ASN  29           HB2      ASN  29  -1.219   3.189   3.541
  221    HB3  ASN  29           HB1      ASN  29  -1.153   2.945   1.806
  222   HD21  ASN  29          HD21      ASN  29  -1.600   5.227   1.638
  223   HD22  ASN  29          HD22      ASN  29  -3.223   5.801   1.780
  224    H    LEU  30           HN       LEU  30  -0.247   1.356   4.356
  225    HA   LEU  30           HA       LEU  30   1.291  -0.094   2.420
  226    HB2  LEU  30           HB2      LEU  30   3.093  -0.120   4.163
  227    HB3  LEU  30           HB1      LEU  30   2.571   1.450   3.598
  228    HG   LEU  30           HG       LEU  30   1.204   1.648   5.706
  229   HD11  LEU  30          HD11      LEU  30   1.093  -0.717   6.328
  230   HD12  LEU  30          HD12      LEU  30   1.841   0.238   7.606
  231   HD13  LEU  30          HD13      LEU  30   2.842  -0.753   6.540
  232   HD21  LEU  30          HD21      LEU  30   3.187   2.162   7.083
  233   HD22  LEU  30          HD22      LEU  30   3.287   2.795   5.441
  234   HD23  LEU  30          HD23      LEU  30   4.187   1.348   5.882
  235    H    GLN  31           HN       GLN  31  -0.535  -1.034   5.247
  236    HA   GLN  31           HA       GLN  31   0.667  -3.574   5.581
  237    HB2  GLN  31           HB2      GLN  31  -2.077  -2.522   6.183
  238    HB3  GLN  31           HB1      GLN  31  -1.688  -4.212   6.448
  239    HG2  GLN  31           HG2      GLN  31   0.107  -3.558   7.973
  240    HG3  GLN  31           HG1      GLN  31  -0.300  -1.860   7.703
  241   HE21  GLN  31          HE21      GLN  31  -3.155  -2.491   7.548
  242   HE22  GLN  31          HE22      GLN  31  -3.678  -2.772   9.166
  243    H    ALA  32           HN       ALA  32  -1.691  -2.301   3.422
  244    HA   ALA  32           HA       ALA  32  -2.467  -4.825   2.271
  245    HB1  ALA  32           HB1      ALA  32  -3.939  -2.865   2.148
  246    HB2  ALA  32           HB2      ALA  32  -3.535  -3.461   0.538
  247    HB3  ALA  32           HB3      ALA  32  -2.735  -2.023   1.169
  248    H    LEU  33           HN       LEU  33  -0.073  -2.337   1.689
  249    HA   LEU  33           HA       LEU  33   0.916  -3.499  -0.721
  250    HB2  LEU  33           HB2      LEU  33   1.773  -1.309   1.082
  251    HB3  LEU  33           HB1      LEU  33   2.963  -1.985   0.008
  252    HG   LEU  33           HG       LEU  33   0.912  -1.534  -1.713
  253   HD11  LEU  33          HD11      LEU  33   0.820   0.686   0.317
  254   HD12  LEU  33          HD12      LEU  33  -0.496  -0.407  -0.117
  255   HD13  LEU  33          HD13      LEU  33   0.115   0.760  -1.294
  256   HD21  LEU  33          HD21      LEU  33   2.201   0.398  -2.437
  257   HD22  LEU  33          HD22      LEU  33   3.255  -0.959  -2.023
  258   HD23  LEU  33          HD23      LEU  33   3.070   0.392  -0.901
  259    H    ILE  34           HN       ILE  34   1.479  -4.022   2.682
  260    HA   ILE  34           HA       ILE  34   3.939  -5.431   2.382
  261    HB   ILE  34           HB       ILE  34   1.869  -5.892   4.546
  262   HG12  ILE  34          HG12      ILE  34   4.126  -3.885   4.441
  263   HG13  ILE  34          HG11      ILE  34   2.409  -3.548   4.566
  264   HG21  ILE  34          HG21      ILE  34   3.548  -7.632   4.409
  265   HG22  ILE  34          HG22      ILE  34   3.785  -6.670   5.869
  266   HG23  ILE  34          HG23      ILE  34   4.835  -6.429   4.470
  267   HD11  ILE  34          HD11      ILE  34   4.090  -4.894   6.669
  268   HD12  ILE  34          HD12      ILE  34   2.361  -4.569   6.779
  269   HD13  ILE  34          HD13      ILE  34   3.504  -3.230   6.701
  270    H    ALA  35           HN       ALA  35   0.553  -6.259   2.234
  271    HA   ALA  35           HA       ALA  35   1.006  -9.078   2.103
  272    HB1  ALA  35           HB1      ALA  35  -1.398  -9.202   1.739
  273    HB2  ALA  35           HB2      ALA  35  -1.464  -7.449   1.549
  274    HB3  ALA  35           HB3      ALA  35  -1.005  -8.154   3.104
  275    H    THR  36           HN       THR  36   0.933  -6.487  -0.184
  276    HA   THR  36           HA       THR  36   0.735  -8.429  -2.388
  277    HB   THR  36           HB       THR  36   0.260  -6.526  -3.850
  278    HG1  THR  36           HG1      THR  36  -0.010  -4.443  -2.877
  279   HG21  THR  36          HG21      THR  36  -1.424  -6.538  -1.343
  280   HG22  THR  36          HG22      THR  36  -1.610  -7.618  -2.723
  281   HG23  THR  36          HG23      THR  36  -1.922  -5.892  -2.906
  282    H    GLY  37           HN       GLY  37   2.909  -6.330  -0.755
  283    HA2  GLY  37           HA2      GLY  37   5.208  -6.182  -0.971
  284    HA3  GLY  37           HA1      GLY  37   5.115  -7.219  -2.386
  285    H    GLY  38           HN       GLY  38   3.148  -4.337  -2.191
  286    HA2  GLY  38           HA2      GLY  38   3.692  -2.166  -2.971
  287    HA3  GLY  38           HA1      GLY  38   5.116  -2.839  -3.771
  288    H    ASP  39           HN       ASP  39   2.318  -4.682  -4.093
  289    HA   ASP  39           HA       ASP  39   1.868  -3.632  -6.789
  290    HB2  ASP  39           HB2      ASP  39   1.940  -6.132  -6.536
  291    HB3  ASP  39           HB1      ASP  39   0.530  -6.024  -5.484
  292    H    ILE  40           HN       ILE  40   0.845  -1.793  -6.487
  293    HA   ILE  40           HA       ILE  40  -0.671  -1.386  -4.138
  294    HB   ILE  40           HB       ILE  40   0.782   0.253  -5.546
  295   HG12  ILE  40          HG12      ILE  40  -1.655   0.748  -3.905
  296   HG13  ILE  40          HG11      ILE  40   0.032   0.944  -3.482
  297   HG21  ILE  40          HG21      ILE  40  -0.578   1.807  -6.902
  298   HG22  ILE  40          HG22      ILE  40  -1.960   0.724  -6.736
  299   HG23  ILE  40          HG23      ILE  40  -0.521   0.185  -7.599
  300   HD11  ILE  40          HD11      ILE  40  -1.092   3.094  -3.650
  301   HD12  ILE  40          HD12      ILE  40  -1.529   2.745  -5.324
  302   HD13  ILE  40          HD13      ILE  40   0.167   2.934  -4.875
  303    H    ASN  41           HN       ASN  41  -1.492  -2.289  -7.376
  304    HA   ASN  41           HA       ASN  41  -4.195  -1.557  -7.460
  305    HB2  ASN  41           HB2      ASN  41  -3.076  -4.122  -8.613
  306    HB3  ASN  41           HB1      ASN  41  -4.466  -3.208  -9.186
  307   HD21  ASN  41          HD21      ASN  41  -1.049  -3.543  -9.207
  308   HD22  ASN  41          HD22      ASN  41  -0.720  -2.320 -10.390
  309    H    ALA  42           HN       ALA  42  -2.648  -4.583  -6.444
  310    HA   ALA  42           HA       ALA  42  -5.034  -5.746  -5.472
  311    HB1  ALA  42           HB1      ALA  42  -2.168  -6.450  -4.869
  312    HB2  ALA  42           HB2      ALA  42  -3.142  -7.104  -6.184
  313    HB3  ALA  42           HB3      ALA  42  -3.571  -7.452  -4.512
  314    H    ALA  43           HN       ALA  43  -2.587  -3.662  -4.093
  315    HA   ALA  43           HA       ALA  43  -3.271  -3.903  -1.388
  316    HB1  ALA  43           HB1      ALA  43  -2.258  -1.719  -1.090
  317    HB2  ALA  43           HB2      ALA  43  -2.314  -1.432  -2.829
  318    HB3  ALA  43           HB3      ALA  43  -1.281  -2.703  -2.173
  319    H    ILE  44           HN       ILE  44  -4.546  -1.688  -3.884
  320    HA   ILE  44           HA       ILE  44  -6.381  -0.376  -2.165
  321    HB   ILE  44           HB       ILE  44  -6.963  -0.665  -5.093
  322   HG12  ILE  44          HG12      ILE  44  -5.002   1.373  -4.090
  323   HG13  ILE  44          HG11      ILE  44  -4.453  -0.222  -4.592
  324   HG21  ILE  44          HG21      ILE  44  -8.462   0.611  -3.597
  325   HG22  ILE  44          HG22      ILE  44  -7.731   1.618  -4.850
  326   HG23  ILE  44          HG23      ILE  44  -7.112   1.678  -3.197
  327   HD11  ILE  44          HD11      ILE  44  -5.973   1.728  -6.306
  328   HD12  ILE  44          HD12      ILE  44  -5.402   0.136  -6.804
  329   HD13  ILE  44          HD13      ILE  44  -4.245   1.398  -6.386
  330    H    GLU  45           HN       GLU  45  -6.637  -3.218  -4.273
  331    HA   GLU  45           HA       GLU  45  -9.440  -3.520  -3.999
  332    HB2  GLU  45           HB2      GLU  45  -9.239  -5.550  -5.109
  333    HB3  GLU  45           HB1      GLU  45  -7.840  -4.660  -5.693
  334    HG2  GLU  45           HG2      GLU  45  -6.407  -5.828  -4.161
  335    HG3  GLU  45           HG1      GLU  45  -7.786  -6.646  -3.442
  336    H    ARG  46           HN       ARG  46  -6.762  -4.380  -1.946
  337    HA   ARG  46           HA       ARG  46  -8.403  -6.062  -0.256
  338    HB2  ARG  46           HB2      ARG  46  -5.647  -4.907   0.204
  339    HB3  ARG  46           HB1      ARG  46  -6.461  -6.027   1.291
  340    HG2  ARG  46           HG2      ARG  46  -6.550  -7.674  -0.559
  341    HG3  ARG  46           HG1      ARG  46  -5.583  -6.569  -1.538
  342    HD2  ARG  46           HD2      ARG  46  -3.885  -6.624   0.346
  343    HD3  ARG  46           HD1      ARG  46  -4.800  -7.977   0.996
  344    HE   ARG  46           HE       ARG  46  -3.807  -8.110  -1.760
  345   HH11  ARG  46          HH11      ARG  46  -3.773  -9.476   1.511
  346   HH12  ARG  46          HH12      ARG  46  -2.662 -10.730   1.069
  347   HH21  ARG  46          HH21      ARG  46  -2.348  -9.787  -2.261
  348   HH22  ARG  46          HH22      ARG  46  -1.852 -10.893  -1.021
  349    H    LEU  47           HN       LEU  47  -7.448  -2.720  -0.428
  350    HA   LEU  47           HA       LEU  47  -8.282  -1.937   2.156
  351    HB2  LEU  47           HB2      LEU  47  -8.158  -0.336  -0.402
  352    HB3  LEU  47           HB1      LEU  47  -8.403   0.344   1.193
  353    HG   LEU  47           HG       LEU  47  -5.929  -1.179   0.374
  354   HD11  LEU  47          HD11      LEU  47  -6.438   1.785   0.551
  355   HD12  LEU  47          HD12      LEU  47  -6.115   0.860  -0.916
  356   HD13  LEU  47          HD13      LEU  47  -4.860   1.034   0.312
  357   HD21  LEU  47          HD21      LEU  47  -6.541   0.547   2.775
  358   HD22  LEU  47          HD22      LEU  47  -4.989  -0.202   2.407
  359   HD23  LEU  47          HD23      LEU  47  -6.386  -1.211   2.775
  360    H    LEU  48           HN       LEU  48  -9.957  -1.857  -0.985
  361    HA   LEU  48           HA       LEU  48 -12.450  -1.089   0.274
  362    HB2  LEU  48           HB2      LEU  48 -11.671  -1.735  -2.560
  363    HB3  LEU  48           HB1      LEU  48 -13.348  -1.527  -2.099
  364    HG   LEU  48           HG       LEU  48 -12.671   0.526  -3.016
  365   HD11  LEU  48          HD11      LEU  48 -12.403   0.891  -0.042
  366   HD12  LEU  48          HD12      LEU  48 -13.931   0.640  -0.883
  367   HD13  LEU  48          HD13      LEU  48 -12.964   2.075  -1.224
  368   HD21  LEU  48          HD21      LEU  48 -10.264   0.179  -2.986
  369   HD22  LEU  48          HD22      LEU  48 -10.235   0.418  -1.237
  370   HD23  LEU  48          HD23      LEU  48 -10.673   1.753  -2.304
  371    H    GLY  49           HN       GLY  49 -10.926  -3.955  -0.973
  372    HA2  GLY  49           HA2      GLY  49 -13.307  -5.515  -1.145
  373    HA3  GLY  49           HA1      GLY  49 -11.660  -6.107  -1.222
  374    H    SER  50           HN       SER  50 -10.666  -5.387   1.258
  375    HA   SER  50           HA       SER  50 -12.115  -7.249   2.940
  376    HB2  SER  50           HB2      SER  50  -9.562  -5.731   3.536
  377    HB3  SER  50           HB1      SER  50 -10.215  -7.083   4.454
  378    HG   SER  50           HG       SER  50  -9.735  -7.418   1.709
  379    H    GLN  51           HN       GLN  51 -13.992  -5.864   3.065
  380    HA   GLN  51           HA       GLN  51 -13.681  -3.597   4.889
  381    HB2  GLN  51           HB2      GLN  51 -15.934  -2.894   4.031
  382    HB3  GLN  51           HB1      GLN  51 -14.651  -2.854   2.835
  383    HG2  GLN  51           HG2      GLN  51 -15.454  -5.109   2.057
  384    HG3  GLN  51           HG1      GLN  51 -16.846  -4.886   3.112
  385   HE21  GLN  51          HE21      GLN  51 -16.853  -1.964   2.541
  386   HE22  GLN  51          HE22      GLN  51 -17.547  -1.818   0.965
  387    H    LEU  52           HN       LEU  52 -13.636  -4.834   6.728
  388    HA   LEU  52           HA       LEU  52 -16.123  -6.264   7.334
  389    HB2  LEU  52           HB2      LEU  52 -13.294  -6.943   8.097
  390    HB3  LEU  52           HB1      LEU  52 -14.676  -7.612   8.927
  391    HG   LEU  52           HG       LEU  52 -15.433  -8.458   6.621
  392   HD11  LEU  52          HD11      LEU  52 -13.874  -7.154   5.279
  393   HD12  LEU  52          HD12      LEU  52 -13.651  -8.885   5.030
  394   HD13  LEU  52          HD13      LEU  52 -12.518  -7.985   6.036
  395   HD21  LEU  52          HD21      LEU  52 -14.061 -10.465   6.854
  396   HD22  LEU  52          HD22      LEU  52 -14.682  -9.907   8.406
  397   HD23  LEU  52          HD23      LEU  52 -13.000  -9.610   7.970
  398    H    SER  53           HN       SER  53 -16.999  -4.400   8.162
  399    HA   SER  53           HA       SER  53 -16.510  -4.052  10.959
  400    HB2  SER  53           HB2      SER  53 -14.852  -2.466   9.944
  401    HB3  SER  53           HB1      SER  53 -16.190  -1.618   9.173
  402    HG   SER  53           HG       SER  53 -16.532  -0.625  10.985
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1  22.380  -7.721   3.733
    2    H2   GLY   1           HT2      GLY   1  23.522  -8.643   2.881
    3    H3   GLY   1           HT3      GLY   1  23.052  -9.108   4.435
    4    HA2  GLY   1           HA1      GLY   1  22.030 -10.466   2.669
    5    HA3  GLY   1           HA2      GLY   1  20.868  -9.664   3.720
    6    HA   PRO   2           HA       PRO   2  19.971  -8.691  -0.840
    7    HB2  PRO   2           HB2      PRO   2  17.380  -9.623  -0.669
    8    HB3  PRO   2           HB1      PRO   2  18.733 -10.508  -1.364
    9    HG2  PRO   2           HG2      PRO   2  17.456 -10.770   1.304
   10    HG3  PRO   2           HG1      PRO   2  18.192 -12.017   0.284
   11    HD2  PRO   2           HD2      PRO   2  19.404 -10.976   2.487
   12    HD3  PRO   2           HD1      PRO   2  20.301 -11.606   1.092
   13    H    LEU   3           HN       LEU   3  18.188  -7.285  -1.566
   14    HA   LEU   3           HA       LEU   3  17.745  -5.267   0.443
   15    HB2  LEU   3           HB2      LEU   3  17.168  -5.408  -2.506
   16    HB3  LEU   3           HB1      LEU   3  16.671  -4.050  -1.512
   17    HG   LEU   3           HG       LEU   3  19.545  -4.942  -1.745
   18   HD11  LEU   3          HD11      LEU   3  19.808  -3.061  -3.307
   19   HD12  LEU   3          HD12      LEU   3  18.060  -2.824  -3.297
   20   HD13  LEU   3          HD13      LEU   3  18.745  -4.314  -3.946
   21   HD21  LEU   3          HD21      LEU   3  19.990  -2.715  -0.858
   22   HD22  LEU   3          HD22      LEU   3  18.952  -3.628   0.240
   23   HD23  LEU   3          HD23      LEU   3  18.259  -2.381  -0.796
   24    H    GLY   4           HN       GLY   4  16.247  -5.995   1.853
   25    HA2  GLY   4           HA2      GLY   4  13.500  -5.832   0.802
   26    HA3  GLY   4           HA1      GLY   4  13.918  -7.077   1.975
   27    H    SER   5           HN       SER   5  15.865  -4.761   2.901
   28    HA   SER   5           HA       SER   5  14.015  -3.794   4.914
   29    HB2  SER   5           HB2      SER   5  16.999  -3.386   4.635
   30    HB3  SER   5           HB1      SER   5  16.023  -2.965   6.041
   31    HG   SER   5           HG       SER   5  16.244  -5.602   4.998
   32    H    MET   6           HN       MET   6  13.279  -2.851   2.555
   33    HA   MET   6           HA       MET   6  13.812   0.017   2.811
   34    HB2  MET   6           HB2      MET   6  13.532  -1.352   0.140
   35    HB3  MET   6           HB1      MET   6  13.980   0.317   0.445
   36    HG2  MET   6           HG2      MET   6  16.113  -0.410   1.349
   37    HG3  MET   6           HG1      MET   6  15.662  -2.096   1.076
   38    HE1  MET   6           HE1      MET   6  15.021  -1.806  -2.887
   39    HE2  MET   6           HE2      MET   6  13.888  -1.204  -1.671
   40    HE3  MET   6           HE3      MET   6  14.672  -2.769  -1.453
   41    HA   PRO   7           HA       PRO   7   9.434  -1.887   2.374
   42    HB2  PRO   7           HB2      PRO   7   8.932  -0.385   4.889
   43    HB3  PRO   7           HB1      PRO   7   8.453  -2.027   4.438
   44    HG2  PRO   7           HG2      PRO   7  10.420  -1.676   6.171
   45    HG3  PRO   7           HG1      PRO   7  10.574  -2.909   4.895
   46    HD2  PRO   7           HD2      PRO   7  11.725  -0.133   4.983
   47    HD3  PRO   7           HD1      PRO   7  12.528  -1.664   4.558
   48    H    GLU   8           HN       GLU   8  10.348   1.378   3.454
   49    HA   GLU   8           HA       GLU   8   7.892   2.439   2.354
   50    HB2  GLU   8           HB2      GLU   8  10.135   3.656   3.915
   51    HB3  GLU   8           HB1      GLU   8   8.989   4.680   3.059
   52    HG2  GLU   8           HG2      GLU   8   7.166   3.434   4.284
   53    HG3  GLU   8           HG1      GLU   8   8.443   2.747   5.287
   54    H    VAL   9           HN       VAL   9  10.997   1.798   1.208
   55    HA   VAL   9           HA       VAL   9  11.158   3.792  -0.797
   56    HB   VAL   9           HB       VAL   9  12.323   0.998  -0.699
   57   HG11  VAL   9          HG11      VAL   9  12.170   1.751  -3.008
   58   HG12  VAL   9          HG12      VAL   9  13.847   1.745  -2.466
   59   HG13  VAL   9          HG13      VAL   9  12.961   3.266  -2.579
   60   HG21  VAL   9          HG21      VAL   9  14.394   2.145  -0.100
   61   HG22  VAL   9          HG22      VAL   9  13.118   2.485   1.067
   62   HG23  VAL   9          HG23      VAL   9  13.555   3.695  -0.140
   63    H    ARG  10           HN       ARG  10   9.480   0.752  -0.486
   64    HA   ARG  10           HA       ARG  10   8.306   1.087  -3.149
   65    HB2  ARG  10           HB2      ARG  10   7.855  -1.129  -1.129
   66    HB3  ARG  10           HB1      ARG  10   7.319  -1.111  -2.803
   67    HG2  ARG  10           HG2      ARG  10  10.189  -1.118  -1.902
   68    HG3  ARG  10           HG1      ARG  10   9.289  -2.525  -2.461
   69    HD2  ARG  10           HD2      ARG  10   8.956  -1.449  -4.635
   70    HD3  ARG  10           HD1      ARG  10   9.856  -0.040  -4.071
   71    HE   ARG  10           HE       ARG  10  11.223  -2.622  -4.003
   72   HH11  ARG  10          HH11      ARG  10  10.734   0.450  -5.590
   73   HH12  ARG  10          HH12      ARG  10  12.210   0.369  -6.505
   74   HH21  ARG  10          HH21      ARG  10  13.173  -2.742  -5.166
   75   HH22  ARG  10          HH22      ARG  10  13.635  -1.435  -6.218
   76    H    PHE  11           HN       PHE  11   7.299   0.606   0.231
   77    HA   PHE  11           HA       PHE  11   4.556   0.863  -0.285
   78    HB2  PHE  11           HB2      PHE  11   6.059   1.231   2.316
   79    HB3  PHE  11           HB1      PHE  11   4.305   1.119   2.173
   80    HD1  PHE  11           HD2      PHE  11   5.059  -1.029  -0.247
   81    HD2  PHE  11           HD1      PHE  11   5.642  -0.691   3.953
   82    HE1  PHE  11           HE2      PHE  11   5.206  -3.471  -0.070
   83    HE2  PHE  11           HE1      PHE  11   5.788  -3.135   4.136
   84    HZ   PHE  11           HZ       PHE  11   5.564  -4.527   2.110
   85    H    GLN  12           HN       GLN  12   6.827   3.281   1.109
   86    HA   GLN  12           HA       GLN  12   4.840   5.172   1.688
   87    HB2  GLN  12           HB2      GLN  12   7.193   5.192   2.576
   88    HB3  GLN  12           HB1      GLN  12   7.715   5.820   1.019
   89    HG2  GLN  12           HG2      GLN  12   6.120   7.722   1.372
   90    HG3  GLN  12           HG1      GLN  12   5.901   7.131   3.018
   91   HE21  GLN  12          HE21      GLN  12   7.684   7.158   4.443
   92   HE22  GLN  12          HE22      GLN  12   9.016   8.236   4.173
   93    H    GLN  13           HN       GLN  13   6.762   4.646  -1.211
   94    HA   GLN  13           HA       GLN  13   6.032   6.950  -2.649
   95    HB2  GLN  13           HB2      GLN  13   6.676   4.155  -3.633
   96    HB3  GLN  13           HB1      GLN  13   6.556   5.571  -4.670
   97    HG2  GLN  13           HG2      GLN  13   8.521   5.189  -2.425
   98    HG3  GLN  13           HG1      GLN  13   8.872   5.077  -4.147
   99   HE21  GLN  13          HE21      GLN  13   8.072   7.178  -1.543
  100   HE22  GLN  13          HE22      GLN  13   8.436   8.644  -2.363
  101    H    GLN  14           HN       GLN  14   4.702   3.709  -2.639
  102    HA   GLN  14           HA       GLN  14   2.435   4.388  -4.213
  103    HB2  GLN  14           HB2      GLN  14   3.274   2.001  -2.646
  104    HB3  GLN  14           HB1      GLN  14   1.592   2.137  -3.129
  105    HG2  GLN  14           HG2      GLN  14   2.520   0.928  -4.857
  106    HG3  GLN  14           HG1      GLN  14   2.542   2.575  -5.488
  107   HE21  GLN  14          HE21      GLN  14   4.389  -0.110  -4.427
  108   HE22  GLN  14          HE22      GLN  14   5.940   0.499  -4.880
  109    H    LEU  15           HN       LEU  15   3.154   4.742  -0.873
  110    HA   LEU  15           HA       LEU  15   0.445   4.784   0.042
  111    HB2  LEU  15           HB2      LEU  15   2.920   5.908   1.350
  112    HB3  LEU  15           HB1      LEU  15   1.343   5.783   2.108
  113    HG   LEU  15           HG       LEU  15   3.262   3.596   1.406
  114   HD11  LEU  15          HD11      LEU  15   1.734   4.390   3.869
  115   HD12  LEU  15          HD12      LEU  15   3.478   4.464   3.607
  116   HD13  LEU  15          HD13      LEU  15   2.665   2.900   3.723
  117   HD21  LEU  15          HD21      LEU  15   1.149   2.909   0.434
  118   HD22  LEU  15          HD22      LEU  15   0.319   3.268   1.946
  119   HD23  LEU  15          HD23      LEU  15   1.503   1.965   1.879
  120    H    GLU  16           HN       GLU  16   2.762   7.208  -1.033
  121    HA   GLU  16           HA       GLU  16   1.028   9.440  -0.611
  122    HB2  GLU  16           HB2      GLU  16   3.213   9.209  -2.689
  123    HB3  GLU  16           HB1      GLU  16   2.563  10.683  -1.982
  124    HG2  GLU  16           HG2      GLU  16   3.444   9.972   0.213
  125    HG3  GLU  16           HG1      GLU  16   4.179   8.579  -0.575
  126    H    GLN  17           HN       GLN  17   1.472   7.073  -3.099
  127    HA   GLN  17           HA       GLN  17  -0.138   8.239  -5.102
  128    HB2  GLN  17           HB2      GLN  17   1.445   6.355  -5.421
  129    HB3  GLN  17           HB1      GLN  17   0.345   5.342  -4.488
  130    HG2  GLN  17           HG2      GLN  17  -1.288   5.373  -6.167
  131    HG3  GLN  17           HG1      GLN  17  -0.554   6.757  -6.971
  132   HE21  GLN  17          HE21      GLN  17   1.255   4.018  -5.794
  133   HE22  GLN  17          HE22      GLN  17   1.735   3.431  -7.342
  134    H    LEU  18           HN       LEU  18  -0.896   5.864  -2.524
  135    HA   LEU  18           HA       LEU  18  -3.695   5.761  -3.114
  136    HB2  LEU  18           HB2      LEU  18  -2.140   5.111  -0.642
  137    HB3  LEU  18           HB1      LEU  18  -3.855   4.873  -0.765
  138    HG   LEU  18           HG       LEU  18  -1.892   3.503  -2.582
  139   HD11  LEU  18          HD11      LEU  18  -1.369   2.925  -0.301
  140   HD12  LEU  18          HD12      LEU  18  -2.223   1.576  -1.058
  141   HD13  LEU  18          HD13      LEU  18  -3.078   2.656   0.051
  142   HD21  LEU  18          HD21      LEU  18  -4.294   3.646  -3.274
  143   HD22  LEU  18          HD22      LEU  18  -4.713   2.803  -1.781
  144   HD23  LEU  18          HD23      LEU  18  -3.721   2.000  -2.999
  145    H    ASN  19           HN       ASN  19  -1.598   7.610  -1.092
  146    HA   ASN  19           HA       ASN  19  -3.271   9.149   0.466
  147    HB2  ASN  19           HB2      ASN  19  -0.735   9.190   0.267
  148    HB3  ASN  19           HB1      ASN  19  -0.952  10.223  -1.133
  149   HD21  ASN  19          HD21      ASN  19  -1.580  12.327  -0.884
  150   HD22  ASN  19          HD22      ASN  19  -1.587  13.121   0.650
  151    H    SER  20           HN       SER  20  -2.625   9.296  -2.920
  152    HA   SER  20           HA       SER  20  -4.126  11.763  -3.312
  153    HB2  SER  20           HB2      SER  20  -2.011  11.151  -4.591
  154    HB3  SER  20           HB1      SER  20  -2.992   9.968  -5.459
  155    HG   SER  20           HG       SER  20  -3.395  12.778  -5.356
  156    H    MET  21           HN       MET  21  -4.744   8.443  -3.184
  157    HA   MET  21           HA       MET  21  -7.025   8.428  -4.986
  158    HB2  MET  21           HB2      MET  21  -6.175   6.299  -3.008
  159    HB3  MET  21           HB1      MET  21  -7.232   6.087  -4.387
  160    HG2  MET  21           HG2      MET  21  -5.156   6.856  -5.742
  161    HG3  MET  21           HG1      MET  21  -4.284   6.405  -4.292
  162    HE1  MET  21           HE1      MET  21  -3.721   5.106  -7.132
  163    HE2  MET  21           HE2      MET  21  -3.521   3.421  -6.646
  164    HE3  MET  21           HE3      MET  21  -2.862   4.714  -5.641
  165    H    GLY  22           HN       GLY  22  -6.384   9.401  -1.879
  166    HA2  GLY  22           HA2      GLY  22  -8.029  10.341  -0.442
  167    HA3  GLY  22           HA1      GLY  22  -9.216   9.238  -1.135
  168    H    PHE  23           HN       PHE  23  -6.292   7.720  -0.610
  169    HA   PHE  23           HA       PHE  23  -7.264   6.566   1.905
  170    HB2  PHE  23           HB2      PHE  23  -5.622   5.487  -0.351
  171    HB3  PHE  23           HB1      PHE  23  -5.569   4.716   1.233
  172    HD1  PHE  23           HD1      PHE  23  -7.848   4.021   2.239
  173    HD2  PHE  23           HD2      PHE  23  -7.266   4.959  -1.867
  174    HE1  PHE  23           HE1      PHE  23  -9.911   2.798   1.665
  175    HE2  PHE  23           HE2      PHE  23  -9.317   3.746  -2.447
  176    HZ   PHE  23           HZ       PHE  23 -10.646   2.659  -0.681
  177    H    ILE  24           HN       ILE  24  -6.326   7.385   3.603
  178    HA   ILE  24           HA       ILE  24  -3.487   8.103   3.472
  179    HB   ILE  24           HB       ILE  24  -4.165   9.928   5.234
  180   HG12  ILE  24          HG12      ILE  24  -6.624   9.136   5.043
  181   HG13  ILE  24          HG11      ILE  24  -6.295  10.864   5.077
  182   HG21  ILE  24          HG21      ILE  24  -3.036  10.388   3.154
  183   HG22  ILE  24          HG22      ILE  24  -4.310  11.581   3.421
  184   HG23  ILE  24          HG23      ILE  24  -4.556  10.266   2.269
  185   HD11  ILE  24          HD11      ILE  24  -6.551  10.973   2.665
  186   HD12  ILE  24          HD12      ILE  24  -7.986  10.278   3.421
  187   HD13  ILE  24          HD13      ILE  24  -6.823   9.232   2.600
  188    H    ASN  25           HN       ASN  25  -5.471   5.991   4.748
  189    HA   ASN  25           HA       ASN  25  -4.531   6.024   7.470
  190    HB2  ASN  25           HB2      ASN  25  -6.670   4.778   6.353
  191    HB3  ASN  25           HB1      ASN  25  -5.498   3.480   6.258
  192   HD21  ASN  25          HD21      ASN  25  -4.820   2.476   8.126
  193   HD22  ASN  25          HD22      ASN  25  -5.546   2.766   9.664
  194    H    ARG  26           HN       ARG  26  -2.310   6.238   7.032
  195    HA   ARG  26           HA       ARG  26  -0.806   4.979   5.144
  196    HB2  ARG  26           HB2      ARG  26  -0.183   6.059   7.840
  197    HB3  ARG  26           HB1      ARG  26   1.075   5.182   6.972
  198    HG2  ARG  26           HG2      ARG  26  -0.382   7.652   6.047
  199    HG3  ARG  26           HG1      ARG  26   1.306   7.542   6.555
  200    HD2  ARG  26           HD2      ARG  26   1.725   5.982   4.688
  201    HD3  ARG  26           HD1      ARG  26   0.059   6.201   4.162
  202    HE   ARG  26           HE       ARG  26   2.249   8.115   3.928
  203   HH11  ARG  26          HH11      ARG  26  -1.188   7.518   3.625
  204   HH12  ARG  26          HH12      ARG  26  -1.435   8.773   2.458
  205   HH21  ARG  26          HH21      ARG  26   1.944   9.739   2.368
  206   HH22  ARG  26          HH22      ARG  26   0.348  10.034   1.734
  207    H    GLU  27           HN       GLU  27  -1.521   3.760   8.388
  208    HA   GLU  27           HA       GLU  27   0.037   1.440   8.256
  209    HB2  GLU  27           HB2      GLU  27  -2.594   1.818   9.698
  210    HB3  GLU  27           HB1      GLU  27  -1.377   0.597  10.056
  211    HG2  GLU  27           HG2      GLU  27  -1.002   3.570  10.282
  212    HG3  GLU  27           HG1      GLU  27  -1.292   2.465  11.625
  213    H    ALA  28           HN       ALA  28  -3.384   1.949   7.395
  214    HA   ALA  28           HA       ALA  28  -3.887  -0.716   6.622
  215    HB1  ALA  28           HB1      ALA  28  -5.917   0.120   5.599
  216    HB2  ALA  28           HB2      ALA  28  -5.317   1.773   5.713
  217    HB3  ALA  28           HB3      ALA  28  -5.686   0.867   7.179
  218    H    ASN  29           HN       ASN  29  -3.135   2.207   4.768
  219    HA   ASN  29           HA       ASN  29  -3.052   1.252   2.219
  220    HB2  ASN  29           HB2      ASN  29  -1.168   3.207   3.555
  221    HB3  ASN  29           HB1      ASN  29  -1.230   2.935   1.822
  222   HD21  ASN  29          HD21      ASN  29  -1.681   5.169   1.604
  223   HD22  ASN  29          HD22      ASN  29  -3.289   5.758   1.830
  224    H    LEU  30           HN       LEU  30  -0.182   1.341   4.396
  225    HA   LEU  30           HA       LEU  30   1.293  -0.114   2.428
  226    HB2  LEU  30           HB2      LEU  30   3.123  -0.169   4.151
  227    HB3  LEU  30           HB1      LEU  30   2.611   1.401   3.577
  228    HG   LEU  30           HG       LEU  30   1.263   1.640   5.691
  229   HD11  LEU  30          HD11      LEU  30   2.898  -0.756   6.543
  230   HD12  LEU  30          HD12      LEU  30   1.148  -0.733   6.319
  231   HD13  LEU  30          HD13      LEU  30   1.888   0.241   7.589
  232   HD21  LEU  30          HD21      LEU  30   4.241   1.272   5.972
  233   HD22  LEU  30          HD22      LEU  30   3.206   2.238   7.026
  234   HD23  LEU  30          HD23      LEU  30   3.433   2.705   5.341
  235    H    GLN  31           HN       GLN  31  -0.500  -1.057   5.270
  236    HA   GLN  31           HA       GLN  31   0.646  -3.629   5.552
  237    HB2  GLN  31           HB2      GLN  31  -2.008  -2.448   6.269
  238    HB3  GLN  31           HB1      GLN  31  -1.774  -4.180   6.404
  239    HG2  GLN  31           HG2      GLN  31  -0.033  -3.902   8.004
  240    HG3  GLN  31           HG1      GLN  31   0.000  -2.157   7.740
  241   HE21  GLN  31          HE21      GLN  31  -2.888  -1.961   7.583
  242   HE22  GLN  31          HE22      GLN  31  -3.488  -2.124   9.196
  243    H    ALA  32           HN       ALA  32  -1.710  -2.284   3.425
  244    HA   ALA  32           HA       ALA  32  -2.530  -4.767   2.254
  245    HB1  ALA  32           HB1      ALA  32  -2.761  -1.955   1.175
  246    HB2  ALA  32           HB2      ALA  32  -3.961  -2.768   2.177
  247    HB3  ALA  32           HB3      ALA  32  -3.605  -3.376   0.560
  248    H    LEU  33           HN       LEU  33  -0.097  -2.324   1.715
  249    HA   LEU  33           HA       LEU  33   0.881  -3.465  -0.713
  250    HB2  LEU  33           HB2      LEU  33   1.763  -1.321   1.134
  251    HB3  LEU  33           HB1      LEU  33   2.958  -2.022   0.067
  252    HG   LEU  33           HG       LEU  33   0.969  -1.509  -1.688
  253   HD11  LEU  33          HD11      LEU  33  -0.479  -0.395  -0.143
  254   HD12  LEU  33          HD12      LEU  33   0.200   0.802  -1.253
  255   HD13  LEU  33          HD13      LEU  33   0.831   0.657   0.387
  256   HD21  LEU  33          HD21      LEU  33   3.319  -0.957  -1.922
  257   HD22  LEU  33          HD22      LEU  33   3.123   0.380  -0.787
  258   HD23  LEU  33          HD23      LEU  33   2.299   0.418  -2.347
  259    H    ILE  34           HN       ILE  34   1.441  -4.010   2.687
  260    HA   ILE  34           HA       ILE  34   3.865  -5.449   2.410
  261    HB   ILE  34           HB       ILE  34   1.724  -5.861   4.503
  262   HG12  ILE  34          HG12      ILE  34   4.098  -4.004   4.459
  263   HG13  ILE  34          HG11      ILE  34   2.403  -3.567   4.565
  264   HG21  ILE  34          HG21      ILE  34   3.538  -6.793   5.866
  265   HG22  ILE  34          HG22      ILE  34   4.644  -6.601   4.505
  266   HG23  ILE  34          HG23      ILE  34   3.285  -7.717   4.384
  267   HD11  ILE  34          HD11      ILE  34   3.516  -3.336   6.707
  268   HD12  ILE  34          HD12      ILE  34   3.953  -5.045   6.678
  269   HD13  ILE  34          HD13      ILE  34   2.257  -4.566   6.768
  270    H    ALA  35           HN       ALA  35   0.473  -6.446   2.537
  271    HA   ALA  35           HA       ALA  35   0.955  -9.197   2.153
  272    HB1  ALA  35           HB1      ALA  35  -1.430  -9.362   1.708
  273    HB2  ALA  35           HB2      ALA  35  -1.529  -7.608   1.535
  274    HB3  ALA  35           HB3      ALA  35  -1.115  -8.322   3.093
  275    H    THR  36           HN       THR  36   0.707  -6.538  -0.102
  276    HA   THR  36           HA       THR  36   0.565  -8.406  -2.352
  277    HB   THR  36           HB       THR  36   0.315  -6.327  -3.725
  278    HG1  THR  36           HG1      THR  36  -0.250  -4.881  -1.398
  279   HG21  THR  36          HG21      THR  36  -1.971  -5.838  -2.995
  280   HG22  THR  36          HG22      THR  36  -1.656  -6.634  -1.456
  281   HG23  THR  36          HG23      THR  36  -1.655  -7.573  -2.948
  282    H    GLY  37           HN       GLY  37   2.826  -6.475  -0.643
  283    HA2  GLY  37           HA2      GLY  37   5.140  -6.513  -0.855
  284    HA3  GLY  37           HA1      GLY  37   4.968  -7.392  -2.367
  285    H    GLY  38           HN       GLY  38   3.116  -4.503  -1.947
  286    HA2  GLY  38           HA2      GLY  38   3.644  -2.292  -2.615
  287    HA3  GLY  38           HA1      GLY  38   5.112  -2.904  -3.384
  288    H    ASP  39           HN       ASP  39   2.339  -4.743  -3.889
  289    HA   ASP  39           HA       ASP  39   2.143  -3.828  -6.659
  290    HB2  ASP  39           HB2      ASP  39   2.250  -6.305  -6.113
  291    HB3  ASP  39           HB1      ASP  39   0.684  -6.137  -5.326
  292    H    ILE  40           HN       ILE  40   1.069  -1.927  -6.516
  293    HA   ILE  40           HA       ILE  40  -0.496  -1.507  -4.185
  294    HB   ILE  40           HB       ILE  40   1.092   0.141  -5.288
  295   HG12  ILE  40          HG12      ILE  40  -1.557   0.625  -4.037
  296   HG13  ILE  40          HG11      ILE  40   0.056   0.897  -3.406
  297   HG21  ILE  40          HG21      ILE  40   0.050   1.748  -6.831
  298   HG22  ILE  40          HG22      ILE  40  -1.368   0.706  -6.939
  299   HG23  ILE  40          HG23      ILE  40   0.190   0.138  -7.540
  300   HD11  ILE  40          HD11      ILE  40  -1.366   2.621  -5.424
  301   HD12  ILE  40          HD12      ILE  40   0.274   2.880  -4.829
  302   HD13  ILE  40          HD13      ILE  40  -1.094   2.999  -3.723
  303    H    ASN  41           HN       ASN  41  -1.287  -2.114  -7.512
  304    HA   ASN  41           HA       ASN  41  -3.907  -1.095  -7.505
  305    HB2  ASN  41           HB2      ASN  41  -4.301  -2.412  -9.469
  306    HB3  ASN  41           HB1      ASN  41  -2.624  -1.904  -9.529
  307   HD21  ASN  41          HD21      ASN  41  -1.000  -3.394  -9.326
  308   HD22  ASN  41          HD22      ASN  41  -1.279  -5.098  -9.406
  309    H    ALA  42           HN       ALA  42  -2.576  -4.223  -6.642
  310    HA   ALA  42           HA       ALA  42  -5.041  -5.348  -5.773
  311    HB1  ALA  42           HB1      ALA  42  -3.684  -7.144  -4.863
  312    HB2  ALA  42           HB2      ALA  42  -2.227  -6.178  -5.094
  313    HB3  ALA  42           HB3      ALA  42  -3.151  -6.724  -6.492
  314    H    ALA  43           HN       ALA  43  -2.464  -3.519  -4.217
  315    HA   ALA  43           HA       ALA  43  -3.303  -3.730  -1.565
  316    HB1  ALA  43           HB1      ALA  43  -2.083  -1.349  -2.958
  317    HB2  ALA  43           HB2      ALA  43  -1.211  -2.664  -2.163
  318    HB3  ALA  43           HB3      ALA  43  -2.206  -1.561  -1.210
  319    H    ILE  44           HN       ILE  44  -4.422  -1.508  -4.128
  320    HA   ILE  44           HA       ILE  44  -6.311  -0.129  -2.517
  321    HB   ILE  44           HB       ILE  44  -6.861  -0.572  -5.433
  322   HG12  ILE  44          HG12      ILE  44  -4.791   1.400  -4.461
  323   HG13  ILE  44          HG11      ILE  44  -4.375  -0.173  -5.138
  324   HG21  ILE  44          HG21      ILE  44  -7.549   1.771  -5.310
  325   HG22  ILE  44          HG22      ILE  44  -7.008   1.842  -3.633
  326   HG23  ILE  44          HG23      ILE  44  -8.363   0.802  -4.078
  327   HD11  ILE  44          HD11      ILE  44  -4.191   1.577  -6.807
  328   HD12  ILE  44          HD12      ILE  44  -5.881   2.015  -6.561
  329   HD13  ILE  44          HD13      ILE  44  -5.465   0.438  -7.233
  330    H    GLU  45           HN       GLU  45  -6.460  -3.023  -4.520
  331    HA   GLU  45           HA       GLU  45  -9.174  -3.622  -4.311
  332    HB2  GLU  45           HB2      GLU  45  -6.828  -5.529  -4.393
  333    HB3  GLU  45           HB1      GLU  45  -8.500  -5.972  -4.690
  334    HG2  GLU  45           HG2      GLU  45  -7.059  -3.927  -6.342
  335    HG3  GLU  45           HG1      GLU  45  -7.021  -5.649  -6.711
  336    H    ARG  46           HN       ARG  46  -6.543  -4.032  -2.024
  337    HA   ARG  46           HA       ARG  46  -8.085  -5.636  -0.192
  338    HB2  ARG  46           HB2      ARG  46  -5.560  -4.058   0.328
  339    HB3  ARG  46           HB1      ARG  46  -6.253  -5.270   1.390
  340    HG2  ARG  46           HG2      ARG  46  -5.920  -6.928  -0.476
  341    HG3  ARG  46           HG1      ARG  46  -4.982  -5.673  -1.296
  342    HD2  ARG  46           HD2      ARG  46  -3.425  -7.020  -0.096
  343    HD3  ARG  46           HD1      ARG  46  -3.585  -5.502   0.777
  344    HE   ARG  46           HE       ARG  46  -4.721  -6.597   2.487
  345   HH11  ARG  46          HH11      ARG  46  -3.907  -8.841  -0.097
  346   HH12  ARG  46          HH12      ARG  46  -4.129 -10.247   0.905
  347   HH21  ARG  46          HH21      ARG  46  -5.068  -8.431   3.755
  348   HH22  ARG  46          HH22      ARG  46  -4.839 -10.017   3.070
  349    H    LEU  47           HN       LEU  47  -7.170  -2.231  -0.427
  350    HA   LEU  47           HA       LEU  47  -8.235  -1.410   2.047
  351    HB2  LEU  47           HB2      LEU  47  -7.761   0.148  -0.487
  352    HB3  LEU  47           HB1      LEU  47  -8.165   0.871   1.060
  353    HG   LEU  47           HG       LEU  47  -5.696  -0.761   0.488
  354   HD11  LEU  47          HD11      LEU  47  -6.071   2.200   0.855
  355   HD12  LEU  47          HD12      LEU  47  -5.633   1.371  -0.638
  356   HD13  LEU  47          HD13      LEU  47  -4.519   1.374   0.729
  357   HD21  LEU  47          HD21      LEU  47  -6.425  -0.983   2.799
  358   HD22  LEU  47          HD22      LEU  47  -6.528   0.769   2.952
  359   HD23  LEU  47          HD23      LEU  47  -4.961  -0.005   2.705
  360    H    LEU  48           HN       LEU  48  -9.626  -1.287  -1.222
  361    HA   LEU  48           HA       LEU  48 -12.228  -0.523  -0.313
  362    HB2  LEU  48           HB2      LEU  48 -11.138  -1.628  -2.878
  363    HB3  LEU  48           HB1      LEU  48 -12.871  -1.624  -2.611
  364    HG   LEU  48           HG       LEU  48 -12.391   0.304  -3.883
  365   HD11  LEU  48          HD11      LEU  48 -12.524   1.316  -1.062
  366   HD12  LEU  48          HD12      LEU  48 -13.892   0.575  -1.893
  367   HD13  LEU  48          HD13      LEU  48 -13.179   2.068  -2.517
  368   HD21  LEU  48          HD21      LEU  48 -10.706   1.954  -3.279
  369   HD22  LEU  48          HD22      LEU  48  -9.980   0.365  -3.523
  370   HD23  LEU  48          HD23      LEU  48 -10.240   0.972  -1.889
  371    H    GLY  49           HN       GLY  49 -10.506  -3.495  -0.818
  372    HA2  GLY  49           HA2      GLY  49 -11.063  -5.641  -0.197
  373    HA3  GLY  49           HA1      GLY  49 -12.473  -4.998   0.641
  374    H    SER  50           HN       SER  50 -11.140  -5.695  -2.488
  375    HA   SER  50           HA       SER  50 -12.906  -5.300  -4.348
  376    HB2  SER  50           HB2      SER  50 -12.339  -7.606  -5.301
  377    HB3  SER  50           HB1      SER  50 -10.981  -6.545  -4.922
  378    HG   SER  50           HG       SER  50 -11.986  -8.673  -3.328
  379    H    GLN  51           HN       GLN  51 -15.007  -5.157  -3.971
  380    HA   GLN  51           HA       GLN  51 -16.437  -7.458  -2.882
  381    HB2  GLN  51           HB2      GLN  51 -17.101  -4.530  -3.094
  382    HB3  GLN  51           HB1      GLN  51 -18.340  -5.731  -2.736
  383    HG2  GLN  51           HG2      GLN  51 -17.020  -6.414  -0.757
  384    HG3  GLN  51           HG1      GLN  51 -15.878  -5.112  -1.108
  385   HE21  GLN  51          HE21      GLN  51 -16.461  -3.008  -0.708
  386   HE22  GLN  51          HE22      GLN  51 -17.848  -2.580   0.232
  387    H    LEU  52           HN       LEU  52 -16.432  -8.671  -4.714
  388    HA   LEU  52           HA       LEU  52 -17.772  -7.494  -7.030
  389    HB2  LEU  52           HB2      LEU  52 -16.490  -8.982  -8.466
  390    HB3  LEU  52           HB1      LEU  52 -15.453  -7.926  -7.542
  391    HG   LEU  52           HG       LEU  52 -15.944 -10.790  -6.714
  392   HD11  LEU  52          HD11      LEU  52 -13.888 -11.382  -7.873
  393   HD12  LEU  52          HD12      LEU  52 -13.751  -9.737  -8.495
  394   HD13  LEU  52          HD13      LEU  52 -15.086 -10.767  -9.016
  395   HD21  LEU  52          HD21      LEU  52 -13.479 -10.284  -5.912
  396   HD22  LEU  52          HD22      LEU  52 -14.862  -9.821  -4.931
  397   HD23  LEU  52          HD23      LEU  52 -14.053  -8.616  -5.934
  398    H    SER  53           HN       SER  53 -19.669  -8.102  -5.857
  399    HA   SER  53           HA       SER  53 -20.652 -10.647  -6.819
  400    HB2  SER  53           HB2      SER  53 -20.792  -9.912  -3.880
  401    HB3  SER  53           HB1      SER  53 -21.578 -11.302  -4.629
  402    HG   SER  53           HG       SER  53 -18.983 -11.319  -5.269
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  22.509  -7.121  -4.815
    2    H2   GLY   1           HT2      GLY   1  23.294  -8.423  -4.062
    3    H3   GLY   1           HT3      GLY   1  23.129  -6.947  -3.248
    4    HA2  GLY   1           HA1      GLY   1  20.867  -8.676  -4.073
    5    HA3  GLY   1           HA2      GLY   1  21.552  -8.637  -2.455
    6    HA   PRO   2           HA       PRO   2  18.733  -4.799  -3.515
    7    HB2  PRO   2           HB2      PRO   2  16.210  -5.817  -3.751
    8    HB3  PRO   2           HB1      PRO   2  17.248  -5.454  -5.128
    9    HG2  PRO   2           HG2      PRO   2  16.684  -8.081  -3.825
   10    HG3  PRO   2           HG1      PRO   2  16.866  -7.691  -5.546
   11    HD2  PRO   2           HD2      PRO   2  18.838  -8.846  -4.084
   12    HD3  PRO   2           HD1      PRO   2  19.159  -7.769  -5.457
   13    H    LEU   3           HN       LEU   3  18.089  -3.811  -1.689
   14    HA   LEU   3           HA       LEU   3  17.747  -5.412   0.684
   15    HB2  LEU   3           HB2      LEU   3  17.600  -2.415   0.386
   16    HB3  LEU   3           HB1      LEU   3  17.686  -3.301   1.894
   17    HG   LEU   3           HG       LEU   3  19.942  -4.191   0.824
   18   HD11  LEU   3          HD11      LEU   3  19.894  -3.144  -1.274
   19   HD12  LEU   3          HD12      LEU   3  21.029  -2.197  -0.313
   20   HD13  LEU   3          HD13      LEU   3  19.391  -1.601  -0.584
   21   HD21  LEU   3          HD21      LEU   3  19.724  -3.040   2.959
   22   HD22  LEU   3          HD22      LEU   3  19.609  -1.491   2.127
   23   HD23  LEU   3          HD23      LEU   3  21.106  -2.419   2.055
   24    H    GLY   4           HN       GLY   4  15.828  -6.418   0.653
   25    HA2  GLY   4           HA2      GLY   4  13.373  -5.113   0.024
   26    HA3  GLY   4           HA1      GLY   4  13.538  -6.662   0.838
   27    H    SER   5           HN       SER   5  15.427  -4.969   2.681
   28    HA   SER   5           HA       SER   5  13.345  -4.334   4.591
   29    HB2  SER   5           HB2      SER   5  15.434  -3.850   6.040
   30    HB3  SER   5           HB1      SER   5  15.101  -5.517   5.577
   31    HG   SER   5           HG       SER   5  16.906  -5.549   4.479
   32    H    MET   6           HN       MET   6  13.204  -2.732   2.463
   33    HA   MET   6           HA       MET   6  13.694  -0.135   3.714
   34    HB2  MET   6           HB2      MET   6  14.031  -0.658   0.757
   35    HB3  MET   6           HB1      MET   6  14.236   0.878   1.575
   36    HG2  MET   6           HG2      MET   6  16.191  -0.037   2.757
   37    HG3  MET   6           HG1      MET   6  15.995  -1.545   1.855
   38    HE1  MET   6           HE1      MET   6  16.099   0.236  -1.812
   39    HE2  MET   6           HE2      MET   6  14.719   0.204  -0.706
   40    HE3  MET   6           HE3      MET   6  15.653  -1.268  -1.006
   41    HA   PRO   7           HA       PRO   7   9.470  -1.626   2.167
   42    HB2  PRO   7           HB2      PRO   7   8.707  -0.547   4.848
   43    HB3  PRO   7           HB1      PRO   7   8.155  -2.017   4.024
   44    HG2  PRO   7           HG2      PRO   7   9.908  -2.281   5.969
   45    HG3  PRO   7           HG1      PRO   7  10.191  -3.148   4.442
   46    HD2  PRO   7           HD2      PRO   7  11.355  -0.534   5.353
   47    HD3  PRO   7           HD1      PRO   7  12.204  -1.964   4.722
   48    H    GLU   8           HN       GLU   8  10.117   1.375   4.019
   49    HA   GLU   8           HA       GLU   8   7.912   2.670   2.655
   50    HB2  GLU   8           HB2      GLU   8   9.866   3.637   4.725
   51    HB3  GLU   8           HB1      GLU   8   8.707   4.710   3.947
   52    HG2  GLU   8           HG2      GLU   8   6.890   3.171   4.713
   53    HG3  GLU   8           HG1      GLU   8   8.108   2.294   5.636
   54    H    VAL   9           HN       VAL   9  10.713   1.839   1.490
   55    HA   VAL   9           HA       VAL   9  11.159   4.295  -0.026
   56    HB   VAL   9           HB       VAL   9  12.539   1.603  -0.152
   57   HG11  VAL   9          HG11      VAL   9  14.196   2.685  -1.589
   58   HG12  VAL   9          HG12      VAL   9  13.222   4.153  -1.603
   59   HG13  VAL   9          HG13      VAL   9  12.600   2.676  -2.335
   60   HG21  VAL   9          HG21      VAL   9  13.432   4.259   0.959
   61   HG22  VAL   9          HG22      VAL   9  14.433   2.810   0.843
   62   HG23  VAL   9          HG23      VAL   9  13.011   2.817   1.888
   63    H    ARG  10           HN       ARG  10   9.637   1.182  -0.238
   64    HA   ARG  10           HA       ARG  10   8.900   1.639  -3.049
   65    HB2  ARG  10           HB2      ARG  10   8.239  -0.865  -1.501
   66    HB3  ARG  10           HB1      ARG  10   8.446  -0.659  -3.234
   67    HG2  ARG  10           HG2      ARG  10  10.656  -0.573  -1.191
   68    HG3  ARG  10           HG1      ARG  10  10.273  -1.937  -2.242
   69    HD2  ARG  10           HD2      ARG  10  10.990   0.801  -3.272
   70    HD3  ARG  10           HD1      ARG  10  12.177  -0.473  -3.002
   71    HE   ARG  10           HE       ARG  10  10.839  -1.806  -4.646
   72   HH11  ARG  10          HH11      ARG  10  10.749   1.703  -4.702
   73   HH12  ARG  10          HH12      ARG  10  10.423   1.786  -6.410
   74   HH21  ARG  10          HH21      ARG  10  10.435  -1.686  -6.882
   75   HH22  ARG  10          HH22      ARG  10  10.239  -0.129  -7.636
   76    H    PHE  11           HN       PHE  11   7.640   0.810   0.119
   77    HA   PHE  11           HA       PHE  11   4.917   0.765  -0.512
   78    HB2  PHE  11           HB2      PHE  11   6.383   1.262   2.081
   79    HB3  PHE  11           HB1      PHE  11   4.626   1.224   1.986
   80    HD1  PHE  11           HD2      PHE  11   7.236  -0.986   0.443
   81    HD2  PHE  11           HD1      PHE  11   3.912  -0.628   3.067
   82    HE1  PHE  11           HE2      PHE  11   7.239  -3.422   0.769
   83    HE2  PHE  11           HE1      PHE  11   3.912  -3.057   3.406
   84    HZ   PHE  11           HZ       PHE  11   5.573  -4.459   2.257
   85    H    GLN  12           HN       GLN  12   6.937   3.358   0.877
   86    HA   GLN  12           HA       GLN  12   4.863   5.174   1.295
   87    HB2  GLN  12           HB2      GLN  12   7.201   5.375   2.197
   88    HB3  GLN  12           HB1      GLN  12   7.691   5.950   0.608
   89    HG2  GLN  12           HG2      GLN  12   5.944   7.754   0.853
   90    HG3  GLN  12           HG1      GLN  12   5.793   7.254   2.534
   91   HE21  GLN  12          HE21      GLN  12   8.687   6.630   2.683
   92   HE22  GLN  12          HE22      GLN  12   9.464   8.171   2.825
   93    H    GLN  13           HN       GLN  13   6.718   4.508  -1.628
   94    HA   GLN  13           HA       GLN  13   5.859   6.798  -3.056
   95    HB2  GLN  13           HB2      GLN  13   6.722   4.092  -4.103
   96    HB3  GLN  13           HB1      GLN  13   6.533   5.542  -5.082
   97    HG2  GLN  13           HG2      GLN  13   8.561   4.980  -2.947
   98    HG3  GLN  13           HG1      GLN  13   8.832   5.389  -4.644
   99   HE21  GLN  13          HE21      GLN  13   7.994   6.585  -1.506
  100   HE22  GLN  13          HE22      GLN  13   8.119   8.267  -1.857
  101    H    GLN  14           HN       GLN  14   4.703   3.445  -3.002
  102    HA   GLN  14           HA       GLN  14   2.346   3.984  -4.495
  103    HB2  GLN  14           HB2      GLN  14   3.258   1.770  -2.721
  104    HB3  GLN  14           HB1      GLN  14   1.568   1.837  -3.187
  105    HG2  GLN  14           HG2      GLN  14   2.597   0.410  -4.732
  106    HG3  GLN  14           HG1      GLN  14   2.376   1.935  -5.586
  107   HE21  GLN  14          HE21      GLN  14   4.624  -0.267  -4.186
  108   HE22  GLN  14          HE22      GLN  14   6.047   0.422  -4.858
  109    H    LEU  15           HN       LEU  15   3.246   4.613  -1.260
  110    HA   LEU  15           HA       LEU  15   0.569   4.728  -0.225
  111    HB2  LEU  15           HB2      LEU  15   3.213   5.607   0.928
  112    HB3  LEU  15           HB1      LEU  15   1.688   5.842   1.762
  113    HG   LEU  15           HG       LEU  15   3.073   3.255   1.108
  114   HD11  LEU  15          HD11      LEU  15   3.720   4.197   3.215
  115   HD12  LEU  15          HD12      LEU  15   2.645   2.825   3.515
  116   HD13  LEU  15          HD13      LEU  15   2.034   4.473   3.658
  117   HD21  LEU  15          HD21      LEU  15   0.214   3.672   1.913
  118   HD22  LEU  15          HD22      LEU  15   1.053   2.121   1.940
  119   HD23  LEU  15          HD23      LEU  15   0.801   2.965   0.409
  120    H    GLU  16           HN       GLU  16   2.923   7.087  -1.442
  121    HA   GLU  16           HA       GLU  16   1.342   9.391  -1.001
  122    HB2  GLU  16           HB2      GLU  16   3.165   8.932  -3.364
  123    HB3  GLU  16           HB1      GLU  16   2.698  10.470  -2.661
  124    HG2  GLU  16           HG2      GLU  16   3.944   9.950  -0.651
  125    HG3  GLU  16           HG1      GLU  16   4.372   8.376  -1.319
  126    H    GLN  17           HN       GLN  17   1.437   6.932  -3.448
  127    HA   GLN  17           HA       GLN  17  -0.310   8.083  -5.315
  128    HB2  GLN  17           HB2      GLN  17   1.165   6.142  -5.715
  129    HB3  GLN  17           HB1      GLN  17   0.134   5.195  -4.650
  130    HG2  GLN  17           HG2      GLN  17  -1.623   5.164  -6.175
  131    HG3  GLN  17           HG1      GLN  17  -1.000   6.551  -7.066
  132   HE21  GLN  17          HE21      GLN  17   1.042   3.929  -6.050
  133   HE22  GLN  17          HE22      GLN  17   1.335   3.272  -7.627
  134    H    LEU  18           HN       LEU  18  -0.960   5.691  -2.713
  135    HA   LEU  18           HA       LEU  18  -3.782   5.681  -3.033
  136    HB2  LEU  18           HB2      LEU  18  -1.991   5.004  -0.719
  137    HB3  LEU  18           HB1      LEU  18  -3.726   4.913  -0.595
  138    HG   LEU  18           HG       LEU  18  -2.030   3.295  -2.488
  139   HD11  LEU  18          HD11      LEU  18  -3.413   2.654   0.104
  140   HD12  LEU  18          HD12      LEU  18  -1.674   2.715  -0.173
  141   HD13  LEU  18          HD13      LEU  18  -2.644   1.465  -0.950
  142   HD21  LEU  18          HD21      LEU  18  -4.048   2.065  -2.950
  143   HD22  LEU  18          HD22      LEU  18  -4.358   3.776  -3.268
  144   HD23  LEU  18          HD23      LEU  18  -4.956   3.032  -1.781
  145    H    ASN  19           HN       ASN  19  -1.519   7.510  -1.186
  146    HA   ASN  19           HA       ASN  19  -3.109   9.014   0.483
  147    HB2  ASN  19           HB2      ASN  19  -0.574   8.956   0.268
  148    HB3  ASN  19           HB1      ASN  19  -0.751  10.049  -1.092
  149   HD21  ASN  19          HD21      ASN  19  -1.208  12.189  -0.748
  150   HD22  ASN  19          HD22      ASN  19  -1.210  12.913   0.825
  151    H    SER  20           HN       SER  20  -2.531   9.243  -2.885
  152    HA   SER  20           HA       SER  20  -3.809  11.854  -3.160
  153    HB2  SER  20           HB2      SER  20  -1.763  11.210  -4.468
  154    HB3  SER  20           HB1      SER  20  -2.740  10.020  -5.320
  155    HG   SER  20           HG       SER  20  -2.842  11.742  -6.613
  156    H    MET  21           HN       MET  21  -4.642   8.610  -3.158
  157    HA   MET  21           HA       MET  21  -6.912   8.710  -4.947
  158    HB2  MET  21           HB2      MET  21  -6.099   6.645  -2.887
  159    HB3  MET  21           HB1      MET  21  -7.281   6.409  -4.161
  160    HG2  MET  21           HG2      MET  21  -4.548   7.212  -4.945
  161    HG3  MET  21           HG1      MET  21  -4.784   5.572  -4.351
  162    HE1  MET  21           HE1      MET  21  -6.512   3.854  -5.489
  163    HE2  MET  21           HE2      MET  21  -7.494   4.251  -6.904
  164    HE3  MET  21           HE3      MET  21  -7.796   5.057  -5.363
  165    H    GLY  22           HN       GLY  22  -6.215   9.549  -1.754
  166    HA2  GLY  22           HA2      GLY  22  -7.820  10.579  -0.303
  167    HA3  GLY  22           HA1      GLY  22  -9.065   9.553  -1.011
  168    H    PHE  23           HN       PHE  23  -6.199   7.898  -0.543
  169    HA   PHE  23           HA       PHE  23  -7.254   6.647   1.891
  170    HB2  PHE  23           HB2      PHE  23  -5.477   5.682  -0.326
  171    HB3  PHE  23           HB1      PHE  23  -5.528   4.836   1.217
  172    HD1  PHE  23           HD1      PHE  23  -7.886   4.113   2.040
  173    HD2  PHE  23           HD2      PHE  23  -6.990   5.181  -1.983
  174    HE1  PHE  23           HE1      PHE  23  -9.870   2.876   1.272
  175    HE2  PHE  23           HE2      PHE  23  -8.971   3.942  -2.757
  176    HZ   PHE  23           HZ       PHE  23 -10.467   2.862  -1.096
  177    H    ILE  24           HN       ILE  24  -6.429   7.534   3.633
  178    HA   ILE  24           HA       ILE  24  -3.541   8.039   3.712
  179    HB   ILE  24           HB       ILE  24  -4.209   9.873   5.464
  180   HG12  ILE  24          HG12      ILE  24  -6.716   9.272   5.044
  181   HG13  ILE  24          HG11      ILE  24  -6.254  10.963   5.194
  182   HG21  ILE  24          HG21      ILE  24  -2.891  10.267   3.475
  183   HG22  ILE  24          HG22      ILE  24  -4.066  11.564   3.701
  184   HG23  ILE  24          HG23      ILE  24  -4.352  10.316   2.487
  185   HD11  ILE  24          HD11      ILE  24  -6.309  11.226   2.796
  186   HD12  ILE  24          HD12      ILE  24  -7.843  10.558   3.357
  187   HD13  ILE  24          HD13      ILE  24  -6.647   9.509   2.589
  188    H    ASN  25           HN       ASN  25  -5.568   5.924   4.767
  189    HA   ASN  25           HA       ASN  25  -4.798   5.939   7.564
  190    HB2  ASN  25           HB2      ASN  25  -6.993   4.854   6.628
  191    HB3  ASN  25           HB1      ASN  25  -5.943   3.540   6.138
  192   HD21  ASN  25          HD21      ASN  25  -7.207   2.239   7.608
  193   HD22  ASN  25          HD22      ASN  25  -6.821   2.247   9.292
  194    H    ARG  26           HN       ARG  26  -2.584   6.016   7.349
  195    HA   ARG  26           HA       ARG  26  -0.986   4.826   5.492
  196    HB2  ARG  26           HB2      ARG  26  -0.570   5.555   8.344
  197    HB3  ARG  26           HB1      ARG  26   0.716   4.747   7.454
  198    HG2  ARG  26           HG2      ARG  26  -0.578   7.353   6.718
  199    HG3  ARG  26           HG1      ARG  26   1.012   7.148   7.459
  200    HD2  ARG  26           HD2      ARG  26   1.617   7.303   5.277
  201    HD3  ARG  26           HD1      ARG  26   1.387   5.569   5.382
  202    HE   ARG  26           HE       ARG  26  -0.919   6.081   4.476
  203   HH11  ARG  26          HH11      ARG  26   1.897   8.026   3.809
  204   HH12  ARG  26          HH12      ARG  26   1.307   8.635   2.298
  205   HH21  ARG  26          HH21      ARG  26  -1.757   6.907   2.493
  206   HH22  ARG  26          HH22      ARG  26  -0.781   7.982   1.546
  207    H    GLU  27           HN       GLU  27  -1.868   3.481   8.634
  208    HA   GLU  27           HA       GLU  27  -0.510   1.080   8.440
  209    HB2  GLU  27           HB2      GLU  27  -2.283   0.158   9.983
  210    HB3  GLU  27           HB1      GLU  27  -1.457   1.606  10.531
  211    HG2  GLU  27           HG2      GLU  27  -3.345   2.973   9.964
  212    HG3  GLU  27           HG1      GLU  27  -4.163   1.605   9.210
  213    H    ALA  28           HN       ALA  28  -3.868   1.736   7.408
  214    HA   ALA  28           HA       ALA  28  -4.399  -0.812   6.394
  215    HB1  ALA  28           HB1      ALA  28  -5.539   1.859   5.587
  216    HB2  ALA  28           HB2      ALA  28  -6.202   0.727   6.769
  217    HB3  ALA  28           HB3      ALA  28  -6.173   0.300   5.060
  218    H    ASN  29           HN       ASN  29  -3.375   2.140   4.720
  219    HA   ASN  29           HA       ASN  29  -3.039   1.266   2.163
  220    HB2  ASN  29           HB2      ASN  29  -1.316   3.175   3.753
  221    HB3  ASN  29           HB1      ASN  29  -1.198   2.984   2.020
  222   HD21  ASN  29          HD21      ASN  29  -1.696   5.203   1.777
  223   HD22  ASN  29          HD22      ASN  29  -3.333   5.754   1.901
  224    H    LEU  30           HN       LEU  30  -0.369   1.299   4.581
  225    HA   LEU  30           HA       LEU  30   1.273  -0.112   2.705
  226    HB2  LEU  30           HB2      LEU  30   2.934  -0.192   4.636
  227    HB3  LEU  30           HB1      LEU  30   2.532   1.364   3.949
  228    HG   LEU  30           HG       LEU  30   0.959   1.697   5.902
  229   HD11  LEU  30          HD11      LEU  30   2.436  -0.689   6.992
  230   HD12  LEU  30          HD12      LEU  30   0.712  -0.601   6.626
  231   HD13  LEU  30          HD13      LEU  30   1.392   0.389   7.918
  232   HD21  LEU  30          HD21      LEU  30   3.135   2.775   5.763
  233   HD22  LEU  30          HD22      LEU  30   3.894   1.366   6.498
  234   HD23  LEU  30          HD23      LEU  30   2.751   2.336   7.426
  235    H    GLN  31           HN       GLN  31  -0.756  -1.120   5.379
  236    HA   GLN  31           HA       GLN  31   0.332  -3.710   5.725
  237    HB2  GLN  31           HB2      GLN  31  -2.395  -2.541   6.112
  238    HB3  GLN  31           HB1      GLN  31  -2.185  -4.276   6.217
  239    HG2  GLN  31           HG2      GLN  31  -0.573  -3.991   8.013
  240    HG3  GLN  31           HG1      GLN  31  -0.728  -2.238   7.876
  241   HE21  GLN  31          HE21      GLN  31  -3.601  -2.422   7.360
  242   HE22  GLN  31          HE22      GLN  31  -4.350  -2.773   8.877
  243    H    ALA  32           HN       ALA  32  -1.786  -2.281   3.407
  244    HA   ALA  32           HA       ALA  32  -2.555  -4.723   2.138
  245    HB1  ALA  32           HB1      ALA  32  -2.684  -1.885   1.123
  246    HB2  ALA  32           HB2      ALA  32  -3.968  -2.736   1.980
  247    HB3  ALA  32           HB3      ALA  32  -3.463  -3.279   0.381
  248    H    LEU  33           HN       LEU  33  -0.069  -2.340   1.841
  249    HA   LEU  33           HA       LEU  33   1.054  -3.434  -0.555
  250    HB2  LEU  33           HB2      LEU  33   1.769  -1.275   1.347
  251    HB3  LEU  33           HB1      LEU  33   3.048  -1.953   0.364
  252    HG   LEU  33           HG       LEU  33   1.145  -1.500  -1.507
  253   HD11  LEU  33          HD11      LEU  33   0.888   0.691   0.532
  254   HD12  LEU  33          HD12      LEU  33  -0.387  -0.372  -0.061
  255   HD13  LEU  33          HD13      LEU  33   0.351   0.812  -1.142
  256   HD21  LEU  33          HD21      LEU  33   3.188   0.479  -0.552
  257   HD22  LEU  33          HD22      LEU  33   2.513   0.348  -2.179
  258   HD23  LEU  33          HD23      LEU  33   3.540  -0.938  -1.547
  259    H    ILE  34           HN       ILE  34   1.317  -4.099   2.839
  260    HA   ILE  34           HA       ILE  34   3.809  -5.470   2.747
  261    HB   ILE  34           HB       ILE  34   1.478  -6.026   4.598
  262   HG12  ILE  34          HG12      ILE  34   3.838  -4.174   4.898
  263   HG13  ILE  34          HG11      ILE  34   2.146  -3.720   4.827
  264   HG21  ILE  34          HG21      ILE  34   3.190  -6.992   6.077
  265   HG22  ILE  34          HG22      ILE  34   4.405  -6.725   4.826
  266   HG23  ILE  34          HG23      ILE  34   3.079  -7.852   4.540
  267   HD11  ILE  34          HD11      ILE  34   3.444  -5.313   7.028
  268   HD12  ILE  34          HD12      ILE  34   1.743  -4.847   6.948
  269   HD13  ILE  34          HD13      ILE  34   2.991  -3.610   7.099
  270    H    ALA  35           HN       ALA  35   0.436  -6.495   2.488
  271    HA   ALA  35           HA       ALA  35   1.108  -9.230   2.041
  272    HB1  ALA  35           HB1      ALA  35  -1.244  -9.563   1.636
  273    HB2  ALA  35           HB2      ALA  35  -1.495  -7.824   1.493
  274    HB3  ALA  35           HB3      ALA  35  -1.015  -8.523   3.042
  275    H    THR  36           HN       THR  36   0.878  -6.478  -0.050
  276    HA   THR  36           HA       THR  36   0.794  -8.239  -2.396
  277    HB   THR  36           HB       THR  36   0.490  -6.147  -3.698
  278    HG1  THR  36           HG1      THR  36  -0.056  -4.748  -1.332
  279   HG21  THR  36          HG21      THR  36  -1.463  -7.422  -2.942
  280   HG22  THR  36          HG22      THR  36  -1.801  -5.692  -2.948
  281   HG23  THR  36          HG23      THR  36  -1.469  -6.518  -1.425
  282    H    GLY  37           HN       GLY  37   2.967  -6.343  -0.538
  283    HA2  GLY  37           HA2      GLY  37   5.247  -6.098  -0.686
  284    HA3  GLY  37           HA1      GLY  37   5.218  -7.244  -2.017
  285    H    GLY  38           HN       GLY  38   3.301  -4.319  -2.205
  286    HA2  GLY  38           HA2      GLY  38   4.134  -2.202  -3.028
  287    HA3  GLY  38           HA1      GLY  38   5.398  -3.085  -3.878
  288    H    ASP  39           HN       ASP  39   2.233  -4.394  -3.856
  289    HA   ASP  39           HA       ASP  39   1.913  -3.591  -6.662
  290    HB2  ASP  39           HB2      ASP  39   1.934  -6.049  -6.306
  291    HB3  ASP  39           HB1      ASP  39   0.569  -5.888  -5.204
  292    H    ILE  40           HN       ILE  40   1.075  -1.668  -6.316
  293    HA   ILE  40           HA       ILE  40  -0.531  -1.029  -4.107
  294    HB   ILE  40           HB       ILE  40   1.046   0.427  -5.407
  295   HG12  ILE  40          HG12      ILE  40  -0.959   0.923  -3.684
  296   HG13  ILE  40          HG11      ILE  40   0.149   2.128  -4.275
  297   HG21  ILE  40          HG21      ILE  40  -1.395   0.775  -7.152
  298   HG22  ILE  40          HG22      ILE  40   0.153   0.074  -7.639
  299   HG23  ILE  40          HG23      ILE  40   0.054   1.782  -7.199
  300   HD11  ILE  40          HD11      ILE  40  -2.565   1.584  -5.427
  301   HD12  ILE  40          HD12      ILE  40  -1.445   2.837  -5.957
  302   HD13  ILE  40          HD13      ILE  40  -2.159   2.918  -4.346
  303    H    ASN  41           HN       ASN  41  -1.258  -2.003  -7.350
  304    HA   ASN  41           HA       ASN  41  -3.904  -1.115  -7.523
  305    HB2  ASN  41           HB2      ASN  41  -2.878  -3.699  -8.717
  306    HB3  ASN  41           HB1      ASN  41  -4.158  -2.663  -9.337
  307   HD21  ASN  41          HD21      ASN  41  -0.736  -3.185  -9.099
  308   HD22  ASN  41          HD22      ASN  41  -0.269  -1.961 -10.239
  309    H    ALA  42           HN       ALA  42  -2.490  -4.139  -6.398
  310    HA   ALA  42           HA       ALA  42  -4.981  -5.278  -5.608
  311    HB1  ALA  42           HB1      ALA  42  -3.669  -7.095  -4.721
  312    HB2  ALA  42           HB2      ALA  42  -2.194  -6.138  -4.846
  313    HB3  ALA  42           HB3      ALA  42  -3.043  -6.643  -6.307
  314    H    ALA  43           HN       ALA  43  -2.409  -3.422  -4.059
  315    HA   ALA  43           HA       ALA  43  -3.169  -3.596  -1.408
  316    HB1  ALA  43           HB1      ALA  43  -2.205  -1.383  -1.121
  317    HB2  ALA  43           HB2      ALA  43  -2.280  -1.104  -2.860
  318    HB3  ALA  43           HB3      ALA  43  -1.208  -2.345  -2.213
  319    H    ILE  44           HN       ILE  44  -4.500  -1.505  -3.970
  320    HA   ILE  44           HA       ILE  44  -6.464  -0.286  -2.297
  321    HB   ILE  44           HB       ILE  44  -7.101  -0.575  -5.189
  322   HG12  ILE  44          HG12      ILE  44  -4.754   0.946  -4.095
  323   HG13  ILE  44          HG11      ILE  44  -4.750  -0.247  -5.383
  324   HG21  ILE  44          HG21      ILE  44  -7.762   1.761  -4.901
  325   HG22  ILE  44          HG22      ILE  44  -7.103   1.752  -3.263
  326   HG23  ILE  44          HG23      ILE  44  -8.495   0.741  -3.661
  327   HD11  ILE  44          HD11      ILE  44  -6.005   1.276  -6.815
  328   HD12  ILE  44          HD12      ILE  44  -4.471   1.974  -6.290
  329   HD13  ILE  44          HD13      ILE  44  -5.982   2.491  -5.537
  330    H    GLU  45           HN       GLU  45  -6.435  -3.095  -4.418
  331    HA   GLU  45           HA       GLU  45  -9.128  -3.824  -4.129
  332    HB2  GLU  45           HB2      GLU  45  -6.653  -5.487  -4.591
  333    HB3  GLU  45           HB1      GLU  45  -8.265  -6.185  -4.537
  334    HG2  GLU  45           HG2      GLU  45  -8.902  -4.613  -6.385
  335    HG3  GLU  45           HG1      GLU  45  -7.193  -4.192  -6.512
  336    H    ARG  46           HN       ARG  46  -6.526  -3.881  -1.869
  337    HA   ARG  46           HA       ARG  46  -7.890  -5.802  -0.139
  338    HB2  ARG  46           HB2      ARG  46  -5.423  -4.142   0.409
  339    HB3  ARG  46           HB1      ARG  46  -6.046  -5.433   1.431
  340    HG2  ARG  46           HG2      ARG  46  -5.707  -6.995  -0.495
  341    HG3  ARG  46           HG1      ARG  46  -4.873  -5.675  -1.323
  342    HD2  ARG  46           HD2      ARG  46  -3.183  -6.939  -0.286
  343    HD3  ARG  46           HD1      ARG  46  -3.404  -5.517   0.722
  344    HE   ARG  46           HE       ARG  46  -4.276  -6.847   2.403
  345   HH11  ARG  46          HH11      ARG  46  -3.759  -8.730  -0.507
  346   HH12  ARG  46          HH12      ARG  46  -4.005 -10.260   0.282
  347   HH21  ARG  46          HH21      ARG  46  -4.540  -8.851   3.456
  348   HH22  ARG  46          HH22      ARG  46  -4.391 -10.324   2.545
  349    H    LEU  47           HN       LEU  47  -7.156  -2.365  -0.241
  350    HA   LEU  47           HA       LEU  47  -8.293  -1.652   2.231
  351    HB2  LEU  47           HB2      LEU  47  -8.102  -0.020  -0.296
  352    HB3  LEU  47           HB1      LEU  47  -8.374   0.617   1.314
  353    HG   LEU  47           HG       LEU  47  -5.884  -0.834   0.428
  354   HD11  LEU  47          HD11      LEU  47  -6.109   1.319  -0.670
  355   HD12  LEU  47          HD12      LEU  47  -4.807   1.342   0.520
  356   HD13  LEU  47          HD13      LEU  47  -6.354   2.103   0.893
  357   HD21  LEU  47          HD21      LEU  47  -6.556   0.605   2.989
  358   HD22  LEU  47          HD22      LEU  47  -4.961  -0.003   2.552
  359   HD23  LEU  47          HD23      LEU  47  -6.299  -1.126   2.786
  360    H    LEU  48           HN       LEU  48  -9.638  -1.636  -1.036
  361    HA   LEU  48           HA       LEU  48 -12.292  -0.967  -0.192
  362    HB2  LEU  48           HB2      LEU  48 -11.486  -2.311  -2.761
  363    HB3  LEU  48           HB1      LEU  48 -12.919  -1.352  -2.461
  364    HG   LEU  48           HG       LEU  48 -10.106  -0.254  -2.507
  365   HD11  LEU  48          HD11      LEU  48 -10.745   0.695  -4.678
  366   HD12  LEU  48          HD12      LEU  48 -12.275  -0.178  -4.600
  367   HD13  LEU  48          HD13      LEU  48 -10.759  -1.070  -4.697
  368   HD21  LEU  48          HD21      LEU  48 -11.650   1.031  -1.116
  369   HD22  LEU  48          HD22      LEU  48 -12.785   1.134  -2.464
  370   HD23  LEU  48          HD23      LEU  48 -11.206   1.918  -2.573
  371    H    GLY  49           HN       GLY  49 -10.515  -3.904  -0.926
  372    HA2  GLY  49           HA2      GLY  49 -11.068  -6.063  -0.248
  373    HA3  GLY  49           HA1      GLY  49 -12.662  -5.479   0.241
  374    H    SER  50           HN       SER  50 -10.681  -6.595  -2.317
  375    HA   SER  50           HA       SER  50 -11.782  -6.259  -4.661
  376    HB2  SER  50           HB2      SER  50 -11.196  -8.996  -3.509
  377    HB3  SER  50           HB1      SER  50 -11.361  -8.641  -5.227
  378    HG   SER  50           HG       SER  50  -9.506  -7.511  -5.202
  379    H    GLN  51           HN       GLN  51 -13.816  -5.767  -5.038
  380    HA   GLN  51           HA       GLN  51 -15.931  -7.630  -4.228
  381    HB2  GLN  51           HB2      GLN  51 -15.938  -4.633  -4.572
  382    HB3  GLN  51           HB1      GLN  51 -17.427  -5.565  -4.542
  383    HG2  GLN  51           HG2      GLN  51 -16.995  -6.285  -2.298
  384    HG3  GLN  51           HG1      GLN  51 -15.383  -5.569  -2.328
  385   HE21  GLN  51          HE21      GLN  51 -15.143  -3.396  -2.063
  386   HE22  GLN  51          HE22      GLN  51 -16.415  -2.353  -1.526
  387    H    LEU  52           HN       LEU  52 -15.687  -8.890  -6.063
  388    HA   LEU  52           HA       LEU  52 -16.181  -7.529  -8.621
  389    HB2  LEU  52           HB2      LEU  52 -14.811 -10.168  -8.075
  390    HB3  LEU  52           HB1      LEU  52 -15.164  -9.537  -9.665
  391    HG   LEU  52           HG       LEU  52 -13.704  -7.534  -9.029
  392   HD11  LEU  52          HD11      LEU  52 -12.810  -9.471  -6.900
  393   HD12  LEU  52          HD12      LEU  52 -13.581  -7.910  -6.633
  394   HD13  LEU  52          HD13      LEU  52 -11.976  -7.987  -7.354
  395   HD21  LEU  52          HD21      LEU  52 -12.479 -10.267  -9.343
  396   HD22  LEU  52          HD22      LEU  52 -11.657  -8.734  -9.634
  397   HD23  LEU  52          HD23      LEU  52 -13.025  -9.207 -10.643
  398    H    SER  53           HN       SER  53 -18.420  -7.537  -8.046
  399    HA   SER  53           HA       SER  53 -19.741  -9.937  -8.992
  400    HB2  SER  53           HB2      SER  53 -19.493 -10.132  -6.459
  401    HB3  SER  53           HB1      SER  53 -20.565  -8.739  -6.338
  402    HG   SER  53           HG       SER  53 -21.461 -10.812  -7.961